Basic information
- CAS
189338-32-7- Standard SMILES
O=C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl- InChIKey
YCKXVVIPFMCOPF-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2F3O2
- Average molar mass
- 259.01 g/mol
- Monoisotopic mass
- 257.94621936
Names & identifiers
- Preferred name
- 2,6-dichloro-4-(trifluoromethyl)benzoic Acid
- IUPAC
- 2,6-dichloro-4-(trifluoromethyl)benzoic acid
- English name
- 4-Carboxy-3,5-dichlorobenzotrifluoride
- Molecular formula
- C8H3Cl2F3O2
- Molecular weight
- 259.01
Names & synonyms
2,6-dichloro-4-(trifluoromethyl)benzoic Acid189338-32-7DTXSID70470519RefChem:248244DTXCID00421337837-161-9Benzoic acid, 2,6-dichloro-4-(trifluoromethyl)-MFCD019345682,6-Dichloro-4-(trifluoromethyl)benzoicacidSCHEMBL320103YCKXVVIPFMCOPF-UHFFFAOYSA-MYCKXVVIPFMCOPF-UHFFFAOYSA-N
Show more names
4-Carboxy-3,5-dichlorobenzotrifluoride3,6-Dichloro-4-(trifluoromethyl)benzoic acid
PHA33832AKOS016011454AS-362222,6-dichloro-4-trifluoromethylbenzoic acid2.6-dichloro-4-trifluoromethylbenzoic acidDB-3553192,6-Dichloro-4-trifluoromethyl benzoic acid2,6-dichloro-4-trifluoromethyl-benzoic acid
Database identifiers
- CAS
189338-32-7- PubChem CID
- 11680460
- DTXSID
DTXSID70470519- EC Number
- 837-161-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 140 · 140-142°
- Boiling point
- 266.2 · 266.2±40.0 °C(Predicted)
- Density
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- pka
- 1.05 · 1.05±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers13 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
米诺化工有限公司0086-15313090952
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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