Basic information
- CAS
126771-41-3- Standard SMILES
O=C(O)COc1ccc(CBr)cc1- InChIKey
COFFWUSSQYARLB-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 4-(Bromomethyl)phenoxyacetic acid
- IUPAC
- 2-[4-(bromomethyl)phenoxy]acetic acid
- English name
- 4-(Bromomethyl)phenoxyacetic acid
- Molecular formula
- C9H9BrO3
- Molecular weight
- 245.07
Names & synonyms
126771-41-34-(BROMOMETHYL)PHENOXYACETIC ACIDDTXSID60426686RefChem:288634DTXCID803775202-(4-(bromomethyl)phenoxy)acetic acid2-[4-(bromomethyl)phenoxy]acetic AcidAcetic acid, 2-[4-(bromomethyl)phenoxy]-4-bromomethylphenoxyacetic acidSCHEMBL3854415COFFWUSSQYARLB-UHFFFAOYSA-N[4-(Bromomethyl)phenoxy]acetic acid
Show more names
2-(4-(bromomethyl)phenoxy)aceticacidAKOS005206799
Database identifiers
- CAS
126771-41-3- PubChem CID
- 7010674
- DTXSID
DTXSID60426686- EC Number
- 679-134-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 138 · 138-142°C
- BRN
- 4997795 · 4997795
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers13 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Wuhan EnTai Technology Development Co,.Ltd86-27-82330560 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
6 records
Compound notes
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