Basic information
- CAS
117632-84-5- Standard SMILES
O=S(=O)(n1nnc2ccccc21)C(F)(F)F- InChIKey
QTTZLMGXPHZYKR-UHFFFAOYSA-N- Molecular formula
- C7H4F3N3O2S
- Average molar mass
- 251.19 g/mol
- Monoisotopic mass
- 250.99763204
Names & identifiers
- Preferred name
- 1-(Trifluoromethanesulfonyl)-1H-benzotriazole
- IUPAC
- 1-(trifluoromethylsulfonyl)benzotriazole
- English name
- 1-(Trifluoromethanesulfonyl)-1H-benzotriazole
- Molecular formula
- C7H4F3N3O2S
- Molecular weight
- 251.19
Names & synonyms
117632-84-51-(Trifluoromethanesulfonyl)-1H-benzotriazoleRefChem:428789834-772-21-(Trifluoromethyl)sulphonyl-1H-benzotriazole1-((Trifluoromethyl)sulfonyl)-1H-benzo[d][1,2,3]triazole1-(trifluoromethylsulfonyl)benzotriazole1-[(Trifluoromethyl)sulfonyl]-1H-benzotriazoleMFCD009636861-((Trifluoromethyl)sulfonyl)benzotriazole1-[(Trifluoromethyl)sulfonyl]-1H-benzo[d][1,2,3]triazoleSCHEMBL23037117
Show more names
6,7-Dimethyl-1,10-phenanthroline1H-Benzotriazole, 1-[(trifluoromethyl)sulfonyl]-
QTTZLMGXPHZYKR-UHFFFAOYSA-NSBB100917(benzotriazolylsulfonyl)trifluoromethaneAS-75645SY051191CS-0324867F828028
Database identifiers
- CAS
117632-84-5- PubChem CID
- 3692410
- EC Number
- 834-772-2
- Nikkaji
- J633.876C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 36 to · 36.0 to 40.0 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- CAS DataBase Reference
- 117632 · 117632-84-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers28 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
河北凡博医药科技有限公司15588346797 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
河北凡博医药科技有限公司15832170903 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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