Introduction：Basic information about CAS 1529-41-5|3-Chlorobenzylcyanide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Chlorobenzylcyanide |
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| CAS Number | 1529-41-5 | Molecular Weight | 151.593 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 270.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C8H6ClN | Melting Point | 11-13 °C(lit.) |
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| MSDS | USA | Flash Point | 107.7±15.4 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | 3-Chlorobenzyl cyanide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 270.0±0.0 °C at 760 mmHg |
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| Melting Point | 11-13 °C(lit.) |
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| Molecular Formula | C8H6ClN |
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| Molecular Weight | 151.593 |
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| Flash Point | 107.7±15.4 °C |
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| Exact Mass | 151.018875 |
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| PSA | 23.79000 |
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| LogP | 2.04 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.549 |
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| InChIKey | GTIKLPYCSAMPNG-UHFFFAOYSA-N |
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| SMILES | N#CCc1cccc(Cl)c1 |
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| Stability | Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AL8240000
- CHEMICAL NAME :
- Acetonitrile, (m-chlorophenyl)-
- CAS REGISTRY NUMBER :
- 1529-41-5
- BEILSTEIN REFERENCE NO. :
- 2042965
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H6-Cl-N
- MOLECULAR WEIGHT :
- 151.60
- WISWESSER LINE NOTATION :
- NC1R CG
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 38 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
- 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#03833
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H301-H311-H331 |
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| Precautionary Statements | P261-P280-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:Toxic |
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| Risk Phrases | R23/24/25;R36/37/38 |
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| Safety Phrases | S36/37/39-S45-S28B |
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| RIDADR | UN 3276 6.1/PG 1 |
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| WGK Germany | 3 |
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| RTECS | AL8240000 |
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| Packaging Group | II |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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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
| 3-chlorophenylacetonitrile |
| Benzeneacetonitrile, 3-chloro- |
| (3-Chlorophenyl)acetonitrile |
| EINECS 216-213-9 |
| 2-(3-chlorophenyl)acetonitrile |
| 3-Chlorobenzylcyanide |
| MFCD00001908 |
