Introduction：Basic information about CAS 612-13-5|2-Cyanobenzyl chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Cyanobenzyl chloride |
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| CAS Number | 612-13-5 | Molecular Weight | 151.593 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 252.0±15.0 °C at 760 mmHg |
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| Molecular Formula | C8H6ClN | Melting Point | 56-61ºC |
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| MSDS | / | Flash Point | 106.2±15.4 °C |
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Names
| Name | 2-(Chloromethyl)benzonitrile |
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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 | 252.0±15.0 °C at 760 mmHg |
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| Melting Point | 56-61ºC |
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| Molecular Formula | C8H6ClN |
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| Molecular Weight | 151.593 |
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| Flash Point | 106.2±15.4 °C |
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| Exact Mass | 151.018875 |
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| PSA | 23.79000 |
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| LogP | 1.92 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.551 |
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| InChIKey | ZSHNOXOGXHXLAV-UHFFFAOYSA-N |
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| SMILES | N#Cc1ccccc1CCl |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XV0920000
- CHEMICAL NAME :
- o-Tolunitrile, alpha-chloro-
- CAS REGISTRY NUMBER :
- 612-13-5
- BEILSTEIN REFERENCE NO. :
- 0742604
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H6-Cl-N
- MOLECULAR WEIGHT :
- 151.60
- WISWESSER LINE NOTATION :
- NCR B1G
HEALTH HAZARD DATAACUTE TOXICITY DATA - 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#02570
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Safety Information
| Hazard Codes | Xn |
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| RIDADR | 3261.0 |
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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
| o-Tolunitrile, α-chloro- |
| EINECS 210-292-3 |
| cyanobenzyl chloride |
| o-(Chloromethyl)benzonitrile |
| o-Cyanobenzylchloride |
| 2-(3-METHOXY-PHENYL)-3-PIPERAZIN-1-YLMETHYL-BENZO |
| MFCD00019745 |
| Benzonitrile, 2- (chloromethyl)- |
| 2-Chlormethyl-benzonitril |
| 2-(Chloromethyl)benzonitrile |
| 2-Cyanobenzyl chloride |
| |A-chloro-o-tolunitrile |
| 2-Chloromethyl-benzonitrile |
| α-Chloro-o-tolunitrile |
| Benzonitrile, 2-(chloromethyl)- |
