Basic information
- CAS
6265-91-4- Standard SMILES
Clc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
GEYFXQNOTPBYPC-UHFFFAOYSA-N- Molecular formula
- C13H8ClNS
- Average molar mass
- 245.73 g/mol
- Monoisotopic mass
- 245.0065981
Names & identifiers
- Preferred name
- 2-(4'-Chlorophenyl)benzothiazole
- IUPAC
- 2-(4-chlorophenyl)-1,3-benzothiazole
- English name
- 2-(4-Chlorophenyl)benzothiazole
- Molecular formula
- C13H8ClNS
- Molecular weight
- 245.73
Names & synonyms
6265-91-42-(4'-Chlorophenyl)benzothiazoleDTXSID00211710RefChem:455947DTXCID301342012-(4-Chlorophenyl)benzothiazole2-(4-Chlorophenyl)-1,3-benzothiazole2-(4-Chlorophenyl)benzo[d]thiazoleMFCD000302294-(2-Benzothiazolyl)-1-chlorobenzeneNSC33160CHEMBL449008
Show more names
2-CpbtBenzothiazole, 2-(4-chlorophenyl)-2-(4-Chlorophenyl)benzothiazole >4-(2-Benzothiazolyl)-1-chlorobenzene
2-(4-Chlorophenyl)benzothiazolineCCG-47382NSC 33160NSC-33160NSC817071NSC-817071MS-1605SR-01000394318-1
Database identifiers
- CAS
6265-91-4- PubChem CID
- 95752
- DTXSID
DTXSID00211710- ChEMBL
CHEMBL449008- EC Number
- 666-322-4
- Nikkaji
- J891.444C
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- solubility
- soluble in Toluene
- form
- powder to crystal
- color
- Light yellow to Yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2934.2 · 2934.20.8000
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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 4 (100%)
Safety data
- hs_code
- 2934.20.8000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers38 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TCI Europe320-37350700 · [email protected]
上海三线态生物医药科技有限公司18946021481 18946021481 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
26 records
Compound notes
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