Basic information
- CAS
1147548-74-0- Standard SMILES
Cc1cc(CCC(=O)O)ccc1Br- InChIKey
ZUKLUVVKWMUNQR-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 3-(4-Bromo-3-methylphenyl)propanoic acid
- IUPAC
- 3-(4-bromo-3-methylphenyl)propanoic acid
- English name
- (4-Bromo-3-methyl-phenyl)-acetic acid
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.1
Names & synonyms
3-(4-bromo-3-methylphenyl)propanoic acid1147548-74-0RefChem:492654839-717-6Benzenepropanoic acid, 4-bromo-3-methyl-MFCD14539086(4-Bromo-3-methyl-phenyl)-acetic acidSCHEMBL4814385XVB54874AKOS0222789863-(4-bromo-3-methylphenyl)propanoicacid(4-Bromo-3-methyl-phenyl)-propanoic acid
Show more names
4-Bromo-3-methylbenzenepropanoic acid
3-(4-bromo-3-methyl-phenyl)propanoic acidCS-0307939EN300-101790F52924A1-38228Z1269176292
Database identifiers
- CAS
1147548-74-0- PubChem CID
- 69201637
- EC Number
- 839-717-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
南京熙泽医药科技有限公司025-66023220 15250997978 · [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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