Basic information
- CAS
14468-40-7- Standard SMILES
FC(F)(F)c1nc2ccccc2s1- InChIKey
TWIPCCMPIAFOKZ-UHFFFAOYSA-N- Molecular formula
- C8H4F3NS
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.00165479
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)benzothiazole
- IUPAC
- 2-(trifluoromethyl)-1,3-benzothiazole
- English name
- 2-(Trifluoromethyl)benzothiazole
- Molecular formula
- C8H4F3NS
- Molecular weight
- 203.18
Names & synonyms
2-(Trifluoromethyl)benzothiazole14468-40-7DTXSID00346036RefChem:462552DTXCID90297109654-148-12-(Trifluoromethyl)-1,3-benzothiazole2-(Trifluoromethyl)benzo[d]thiazoleMFCD00065209benzothiazole, 2-(trifluoromethyl)-2-trifluoromethylbenzothiazoleSCHEMBL693189
Show more names
2-CHLORO-3-(CHLOROSULFONYL)PYRIDINEBenzothiazole, 2-(trifluoromethyl)- (8CI,9CI)
SCHEMBL1666355SCHEMBL10422668SBB078636AKOS0051376282-(Trifluoromethyl)-1,3-benzothiazole #CS-0334074InChI=1/C8H4F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4
Database identifiers
- CAS
14468-40-7- PubChem CID
- 608957
- DTXSID
DTXSID00346036- EC Number
- 654-148-1
- Nikkaji
- J149.944K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 185 °C · 185 °C
- Density
- 1.453 · 1.453
- Flash point
- 65 °C · 65 °C
- pka
- -1.54 · -1.54±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2934208090 · 2934208090
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2934208090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers16 total
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Longyan Tianhua Biological Technology Co., Ltd0086 18039857276 18039857276
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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