Introduction：Basic information about CAS 542-76-7|3-chloropropiononitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-chloropropiononitrile |
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| CAS Number | 542-76-7 | Molecular Weight | 89.52360 |
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| Density | 1.144 g/mL at 25 °C(lit.) | Boiling Point | 174-176 °C(lit.) |
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| Molecular Formula | C3H4ClN | Melting Point | −52-−50 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 168 °F |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | 3-chloropropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.144 g/mL at 25 °C(lit.) |
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| Boiling Point | 174-176 °C(lit.) |
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| Melting Point | −52-−50 °C(lit.) |
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| Molecular Formula | C3H4ClN |
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| Molecular Weight | 89.52360 |
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| Flash Point | 168 °F |
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| Exact Mass | 89.00320 |
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| PSA | 23.79000 |
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| LogP | 1.13888 |
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| Index of Refraction | n20/D 1.438(lit.) |
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| InChIKey | GNHMRTZZNHZDDM-UHFFFAOYSA-N |
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| SMILES | N#CCCCl |
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| Water Solubility | 4.50 g/100 mL |
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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 DATAACUTE 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
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H300-H331 |
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| Precautionary Statements | P261-P264-P301 + P310-P311 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | T+:Verytoxic; |
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| Risk Phrases | R23;R28 |
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| Safety Phrases | S36/37/39-S45 |
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| RIDADR | UN 3276 6.1/PG 2 |
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| WGK Germany | 3 |
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| RTECS | UG1400000 |
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| Packaging Group | II |
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| Hazard Class | 6.1 |
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| HS Code | 29269095 |
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Customs
| HS Code | 2926909090 |
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| 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% |
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Synonyms
| 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 |
