Basic information
- CAS
500912-16-3- Standard SMILES
Cc1c(F)cccc1CC(=O)O- InChIKey
ZESQUNYKCICBQB-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- 2-(3-Fluoro-2-methylphenyl)acetic acid
- IUPAC
- 2-(3-fluoro-2-methylphenyl)acetic acid
- English name
- 3-Fluoro-2-methylphenylacetic acid
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.16
Names & synonyms
2-(3-fluoro-2-methylphenyl)acetic acid500912-16-33-Fluoro-2-methylphenylacetic acidMFCD03788545(3-fluoro-2-methylphenyl)acetic acid2-(3-fluoro-2-methyl-phenyl)acetic Acid2-(3-Fluoro-2-methylphenyl)aceticacidSCHEMBL868842DTXSID80381349ZESQUNYKCICBZESQUNYKCICBQB-UHFFFAOYSA-N3-Fluoro-2-methylphenyl acetic acid
Show more names
2-(3-Fluoro-2-methylphenyl)3-Fluoro-2-methylbenzeneacetic acid3-Fluoro-2-methylphenylaceticacid,97%Benzeneacetic acid, 3-fluoro-2-methyl-
CL8776SBB088166AKOS015890288CS-W016041DS-2106FS-3586SY113339DB-011186
Database identifiers
- CAS
500912-16-3- PubChem CID
- 2779247
- DTXSID
DTXSID80381349
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 90 · 90-92℃
- Boiling point
- 275.2 · 275.2±25.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.1 · 4.10±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers40 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
3 records
Compound notes
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