Basic information
- CAS
76041-74-2- Standard SMILES
FC(F)(F)c1c[nH]c(=S)c(Cl)c1- InChIKey
TZCNTBWWNBGRFJ-UHFFFAOYSA-N- Molecular formula
- C6H3ClF3NS
- Average molar mass
- 213.61 g/mol
- Monoisotopic mass
- 212.9626825
Names & identifiers
- Preferred name
- 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
- IUPAC
- 3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
- English name
- 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol
- Molecular formula
- C6H3ClF3NS
- Molecular weight
- 213.61
Names & synonyms
3-chloro-5-(trifluoromethyl)pyridine-2-thiol76041-74-2DTXSID20353242RefChem:278383DTXCID70304305670-842-73-chloro-5-(trifluoromethyl)-2-pyridinylhydrosulfide3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thioneMFCD001531043-Chloro-2-mercapto-5-(trifluoromethyl)pyridineMaybridge1_0086793-Chloro-2-thio-5-(trifluoromethyl)pyridine
Show more names
BUTTPARK 74\09-543-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE-2-T3-chloro-5-(trifluoromethyl)-2-pyridinethiolate3-Chloro-2-thio-5-(trifluoromethyl)pyridine, tech3-Chloro-5-(trifluoromethyl)pyridine-2-thiol, tech2(1H)-Pyridinethione, 3-chloro-5-(trifluoromethyl)-
3-Chloro-2-sulphanyl-5-(trifluoromethyl)pyridineAI-204/317030463-chloro-5-(trifluoromethyl)pyridine-2(1H)-thioneSCHEMBL3464720SCHEMBL5316901SCHEMBL30353712HMS566C11SBB054257
Database identifiers
- CAS
76041-74-2- PubChem CID
- 737460
- DTXSID
DTXSID20353242- EC Number
- 670-842-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 164.1 · 164.1±50.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.66 · 6.66±0.60(Predicted)
- Sensitive
- Stench
- CAS DataBase Reference
- 76041 · 76041-74-2(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36-45
- Hazard Note
- Irritant/Stench
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant/Stench
- safety_code
- 26-36-45
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers27 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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