100-44-7 - Names and IdentifiersNameBenzyl ChlorideSynonymsai3-15518Tolyl chlorideω-Chlorotolue
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| Name | Benzyl Chloride |
| Synonyms | ai3-15518 Tolyl chloride ω-Chlorotoluene α-Chlorotoluene A-CHLOROTOLUENE Benzyl Chloride AKOS BBS-00003953 alpha-Chlortoluol ALPHA-CHLOROTOLUENE alpha-tolylchloride alpha-chloro-toluen (Chloromethyl)Benzene (chloromethyl)-benzen 1-Chloromethylbenzene (chloromethyl)-Benzene 1-Chlorome-thylbenzene |
| CAS | 100-44-7 |
| EINECS | 202-853-6 |
| InChI | InChI=1/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
| Molecular Formula | C7H7Cl |
| Molar Mass | 126.584 |
| Density | 1.08g/cm3 |
| Melting Point | -39℃ |
| Boling Point | 179.4°C at 760 mmHg |
| Flash Point | 73.9°C |
| Water Solubility | 0.3 g/L (20℃) |
| Vapor Presure | 1.28mmHg at 25°C |
| Refractive Index | 1.527 |
| Physical and Chemical Properties | Colorless transparent liquid, flammable. Melting Point -39.2 ℃, boiling point 179.4 ℃,99 ℃(8.27kPa),66 ℃(1.47kPa), relative density 1.1002(20/20 ℃), refractive index 1.5392. an explosive mixture is formed with air with an explosion limit of 1.1%-14% by volume and a flash point (open cup) of 60 °c. Soluble in ether, alcohol, chloroform and other organic solvents, insoluble in water, but can be volatilized with water vapor. With a strong pungent odor, there is a tear |
| Use | Organic synthetic intermediates, widely used in medicine, pesticides, spices, dyes, synthetic resins and so on. |
| Hazard Symbols | T - Toxic |
| Risk Codes | R22 - Harmful if swallowed R23 - Toxic by inhalation R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R45 - May cause cancer R48/22 - Harmful danger of serious damage to health by prolonged exposure if swallowed. |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S53 - Avoid exposure - obtain special instructions before use. |
| UN IDs | UN 1738 |
| melting point | -39 °C |
| boiling point | 179 °C |
| density | 1.1 g/mL at 25 °C(lit.) |
| vapor density | 4.36 (vs air) |
| Vapor pressure | 10.3mm Hg ( 60 °C) |
| refractive index | n20/D 1.538(lit.) |
| flash point | 165 °F |
| storage conditions | Store below +30°C. |
| solubility | soluble0.46g/L at 30°C (Decomposes in contact with water) |
| morphology | Liquid |
| color | Clear colorless to slightly yellow |
| Odor | Pungent, irritating. |
| explosion limit value (explosive limit) | 1.1-14%(V) |
| water solubility | 0.3 g/L (20 °C) |
| Merck | 14.1129 |
| BRN | 471308 |
| Henry's Law Constant | (x 10-4 atm?m3/mol): 3.57 at 20.00°C (inert gas stripping, Hovorka and Dohnal, 1997) |
| exposure limit | TLV-TWA 1 ppm (~5mg/m3) (ACGIH, MSHA, and OSHA); IDLH 10 ppm (NIOSH); carcinogenicity: Animal Limited Evidence, Human Inadequate Evidence (IARC). |
| stability | Unstable - inhibitors such as propylene oxide or trimethylamine are usually added to prevent polymerization. Combustible. Incompatible with strong oxidizing agents, water, acids, most common metals, dimethyl sulfoxide. Above flash point vapour-air mixtures are explosive within the limits noted above. Contact with water produces toxic fumes. |
| InChIKey | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| NIST chemical information | Benzyl chloride(100-44-7) |
| (IARC) Carcinogen Classification | 2A (Vol. 29. Sup 7. 71) 1999 |
| EPA chemical information | Benzyl chloride (100-44-7) |
| dangerous goods mark | T,T |
| hazard category code | 45-22-23-37/38-41-48/22-43-26-46 |
| safety instructions | 53-45-36/37/39-28-26-36/37 |
| dangerous goods transport number | UN 1738 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS number | XS8925000 |
| F | 8-19 |
| auto-ignition temperature | 585 °C |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | II |
| customs code | 29039990 |
| toxic substance data | 100-44-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 440 mg/kg |
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