Basic information
- CAS
117890-58-1- Standard SMILES
Cc1cc(CBr)ccc1Cl- InChIKey
REUUQOIBNWISSI-UHFFFAOYSA-N- Molecular formula
- C8H8BrCl
- Average molar mass
- 219.5 g/mol
- Monoisotopic mass
- 217.94979
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-1-chloro-2-methylbenzene
- IUPAC
- 4-(bromomethyl)-1-chloro-2-methylbenzene
- English name
- Benzene, 4-(bromomethyl)-1-chloro-2-methyl-
- Molecular formula
- C8H8BrCl
- Molecular weight
- 219.51
Names & synonyms
4-(BROMOMETHYL)-1-CHLORO-2-METHYLBENZENE117890-58-1RefChem:515314822-733-2MFCD118465664-(BROMOMETHYL)-1-CHLORO-2-METHYL-BENZENEBenzene, 4-(bromomethyl)-1-chloro-2-methyl-SCHEMBL583557SCHEMBL29290803SCHEMBL29827544DA-14997EN300-225025
Show more names
G69869
Database identifiers
- CAS
117890-58-1- PubChem CID
- 53404201
- EC Number
- 822-733-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
湖州浦瑞生物医药技术有限公司+86-0572-2745768 +86-13816075732 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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