Basic information
- CAS
4960-48-9- Standard SMILES
Clc1ccc(Cl)c(CBr)c1Cl- InChIKey
URKUOLGHTOGYJL-UHFFFAOYSA-N- Molecular formula
- C7H4BrCl3
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 271.85619527
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1,3,4-trichlorobenzene
- IUPAC
- 2-(bromomethyl)-1,3,4-trichlorobenzene
- English name
- 2,3,6-TRICHLOROBENZYL BROMIDE
- Molecular formula
- C7H4BrCl3
- Molecular weight
- 274.37
Names & synonyms
2-(Bromomethyl)-1,3,4-trichlorobenzene4960-48-9EINECS 225-602-2DTXSID40197928NSC 166426RefChem:84578DTXCID00120419225-602-22,3,6-trichlorobenzyl bromideNSC166426SCHEMBL859436NSC-166426
Show more names
2,3,6-Trichlorobenzyl bromide,90%Benzene, 2-(bromomethyl)-1,3,4-trichloro-
DB-093326NS00031916G47150EN300-23313372
Database identifiers
- CAS
4960-48-9- PubChem CID
- 78662
- DTXSID
DTXSID40197928- EC Number
- 225-602-2
- Nikkaji
- J203.207D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 140 · 140-143 °C(Press: 10 Torr)
- Density
- 1.772 · 1.772±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 4960 · 4960-48-9
- Hazard Codes
- C
- Risk Statements
- 34 · 34-22
- Safety Statements
- 45 · 45-36/37/39-26
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 34-22
- hazard_code
- C
- safety_code
- 45-36/37/39-26
Chemistry & industry
Suppliers5 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
重庆卡兰医药有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
13 records
Compound notes
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