Basic information
- CAS
114152-19-1- Standard SMILES
OCc1c(F)ccc(F)c1F- InChIKey
DWOWBLURUYIVOU-UHFFFAOYSA-N- Molecular formula
- C7H5F3O
- Average molar mass
- 162.11 g/mol
- Monoisotopic mass
- 162.02924944
Names & identifiers
- Preferred name
- 2,3,6-Trifluorobenzyl alcohol
- IUPAC
- (2,3,6-trifluorophenyl)methanol
- English name
- 2,3,6-Trifluorobenzyl alcohol
- Molecular formula
- C7H5F3O
- Molecular weight
- 162.11
Names & synonyms
2,3,6-Trifluorobenzyl alcohol114152-19-1DTXSID80150658RefChem:81442DTXCID7073149DWOWBLURUYIVOU-UHFFFAOYSA-N(2,3,6-trifluorophenyl)methanolBenzenemethanol, 2,3,6-trifluoro-MFCD00061205SCHEMBL702012AKOS005762859PS-10185
Show more names
RARECHEM AL BD 03132,3,6-Trifluorobenzylalcohol97%(2,3,6-Triffluoro-phenyl)methanol2,3,6-Trifluorobenzyl alcohol 97%(2,3,6-TRIFLUORO-PHENYL)-METHANOL
CS-0192213E89370(2,3,6-trifluorophenyl)methan-1-ol2,3,6-TRIFLUOROBENZYLALCOHOLFT-0609484SCHEMBL16961165SCHEMBL30368120(2,3,6-trifluoro-phenyl)methanol
Database identifiers
- CAS
114152-19-1- PubChem CID
- 145500
- DTXSID
DTXSID80150658- EC Number
- 671-449-3
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 43 · 43-45 °C(lit.)
- Boiling point
- 112 °C · 112 °C(Press: 30 Torr)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- 13.14 · 13.14±0.10(Predicted)
- color
- White
- CAS DataBase Reference
- 114152 · 114152-19-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Suppliers43 total
上海恩氟佳科技有限公司15800445152 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
11 records
Compound notes
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