研峰科技 Infinity Scientific

Allyl cyanide 3-丁烯腈

规格: 98%

CAS: 109-75-1

产品编号: H21319

MDL: MFCD00001962

品牌: INFI

Chemical Name	3-Butenenitrile
Synonym	1-butene-4-nitrile 1-氰基丙烯 2-Propenylcyanide 3-BUTENENITRILE 3-Butenenitrile,Vinylacetonitrile 3-Butenylnitrile 3-Cyano-1-propene 3-Cyanopropene Acetonitrile, vinyl- Allyl Cyanide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	109-75-1
PubChem Substance ID	8009
EC Number	203-701-1
Beilstein Registry Number	605352
MDL Number	MFCD00001962
Reaxys-RN	605352
Merck Number	290
Chemical Name Translation	烯丙基腈
Wiswesser Line Notation	NC2U1
LabNetwork Molecule ID	LN00116497
InChI	InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
Canonical SMILES	C=CCC#N

GHS Symbol

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 132 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - muscle contraction or spasticity
   Gastrointestinal - nausea or vomiting
REFERENCE :
   MELAAD Medicina del Lavoro.  Industrial Medicine.  (Via S. Barnaba, 8, 20122
   Milan, Italy) V.16-    1925-  Volume(issue)/page/year: 47,192,1956

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2500 mg/m3/4H
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 34(4),36,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,18,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 ppm/6H
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,365,1993

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 50 ppm/6H
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,365,1993

WGK Germany	3
Hazard statements
H226 Flammable liquid and vapour 易燃液体和蒸气 H315 Causes skin irritation 会刺激皮肤 H301+H331 H312 Harmful in contact with skin 皮肤接触有害 H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes	3 T
RTECS	EM8050000
Precautionary statements
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。 P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P301+P310 P302+P352+P312+P362+P364 P303+P361+P353 P305+P351+P338 P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。 P332+P313 P370+P378 P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word	Danger
Safety Statements
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护； S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
R10 Flammable 易燃 R21 Harmful in contact with skin 与皮肤接触有害 R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒 R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
UN Number	1992
Packing Group	III
Hazard Class	3/6.1
Storage condition	+4°C +4℃ 4 4℃ 储存温度2-8℃
Warnings	危化品目录(2015)
Restrict	危险品

{SA}

Merck 14 ,290

{SA}

Beil. 2 ,IV,1491

{SA}

Aldrich MSDS 1 , 43:B / Corp MSDS 1 (1), 98:C / FT-IR 1 (1), 843:A / FT-IR 2 (1), 1430:B / FT-NMR 1 (1), 1358:C / IR-Spectra (3), 503:H / IR-Spectra (2), 447:E / NMR-Reference 2 (1), 701:D / RegBook 1 (1), 991:F / Sax 6 , 551 / Structure Index 1 , 154:B:8 / Vapor Phase 3 , 802:C

{uni_hamburg} Short: II/19b

Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules

Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G.

Editor: Hüttner, W.

Source: Landolt-Börnstein, New Series

Volume: II/19b

Year: 1992

Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy

ISBN: 3-540-54578-6

ISBN: 978-3-540-54578-1

Internet Resource: DOI:10.1007/b44334

RefComment: XI, 488 pages.

Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.

{uni_hamburg} Short: II/19c

Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules

Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G.

Editor: Hüt

化学属性

Mol. Formula	C4H5N
Mol. Weight	67.09
Refractive index	1.4030 to 1.4080
Boiling Point	116-121
Density	0.834
Flash Point	24°C(lit.)
TSCA	Yes
Autoignition Point	851 °F
Melting Point	-87°
Solubility	微溶于水，可混溶于乙醇、乙醚。
Danger-Level	甲类

*以上化合物性质及应用等信息仅供参考