3-chloropropiononitrile
Names
[ CAS No. ]:
542-76-7
[ Name ]:
3-chloropropiononitrile
[Synonym ]:
nitrile of 3-chloropropionic acid
3-chloro-propionitrile
1-Chloro-2-cyanoethane
EINECS 208-827-0
MFCD00001952
3-CHLOROPROPANONITRILE
3-Chloropropiononitrile
Propanenitrile,3-chloro
USAF A-8798
Propionitrile,3-chloro
Chemical & Physical Properties
[ Density]:
1.144 g/mL at 25 °C(lit.)
[ Boiling Point ]:
174-176 °C(lit.)
[ Melting Point ]:
−52-−50 °C(lit.)
[ Molecular Formula ]:
C3H4ClN
[ Molecular Weight ]:
89.52360
[ Flash Point ]:
168 °F
[ Exact Mass ]:
89.00320
[ PSA ]:
23.79000
[ LogP ]:
1.13888
[ Index of Refraction ]:
n20/D 1.438(lit.)
[ Water Solubility ]:
4.50 g/100 mL
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UG1400000
- CHEMICAL NAME :
- Propionitrile, 3-chloro-
- CAS REGISTRY NUMBER :
- 542-76-7
- BEILSTEIN REFERENCE NO. :
- 1098454
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C3-H4-Cl-N
- MOLECULAR WEIGHT :
- 89.53
- WISWESSER LINE NOTATION :
- NC2G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar or venous dilation
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571125
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 9 mg/kg
- TOXIC EFFECTS :
- Behavioral - general anesthetic
- REFERENCE :
- 14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63 Volume(issue)/page/year: 2,2025,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01996
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H300-H331
[ Precautionary Statements ]:
P261-P264-P301 + P310-P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T+:Verytoxic;
[ Risk Phrases ]:
R23;R28
[ Safety Phrases ]:
S36/37/39-S45
[ RIDADR ]:
UN 3276 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
UG1400000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ HS Code ]:
29269095
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%