Basic information
- CAS
25181-66-2- Standard SMILES
Cc1ccc(OCC(=O)O)c(Br)c1- InChIKey
SIAQBSDQFZWINQ-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- (2-Bromo-4-methylphenoxy)acetic acid
- IUPAC
- 2-(2-bromo-4-methylphenoxy)acetic acid
- English name
- (2-Bromo-4-methylphenoxy)acetic acid
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
(2-bromo-4-methylphenoxy)acetic acidDTXSID60318991RefChem:395475DTXCID90270114666-108-025181-66-22-(2-bromo-4-methylphenoxy)acetic acidAcetic acid, 2-(2-bromo-4-methylphenoxy)-MFCD000297872-(2-bromo-4-methylphenoxy)aceticacidNSC338417Acetic acid,2-(2-bromo-4-methylphenoxy)-
Show more names
Cambridge id 6711283CHEMBL174987SCHEMBL3714744SCHEMBL5502944SIAQBSDQFZWINQ-UHFFFAOYSA-NSBB000844STK000575AKOS000262173
Database identifiers
- CAS
25181-66-2- PubChem CID
- 334083
- DTXSID
DTXSID60318991- ChEMBL
CHEMBL174987- EC Number
- 666-108-0
- Nikkaji
- J1.407.923H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-(2-Bromo-4-methylphenoxy)acetic acid is a plant growth regulator for the control of nut grass and oxalis.
Suppliers9 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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