Basic information
- CAS
21714-35-2- Standard SMILES
NC(=S)Nc1cc(C(F)(F)F)ccc1Cl- InChIKey
GCEQZLQDKSFFEF-UHFFFAOYSA-N- Molecular formula
- C8H6ClF3N2S
- Average molar mass
- 254.66 g/mol
- Monoisotopic mass
- 253.9892316
Names & identifiers
- Preferred name
- 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea
- IUPAC
- [2-chloro-5-(trifluoromethyl)phenyl]thiourea
- English name
- (2-Chloro-5-trifluoromethyl)phenylthiourea
- Molecular formula
- C8H6ClF3N2S
- Molecular weight
- 254.66
Names & synonyms
21714-35-21-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea[2-chloro-5-(trifluoromethyl)phenyl]thiourea1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea(2-CHLORO-5-TRIFLUOROMETHYL)PHENYLTHIOUREAN-[2-Chloro-5-(trifluoromethyl)phenyl]thioureaMFCD00041155N-[2-Chloro-5-(Trifluoromethyl)Phenyl]-Thioureaamino{[2-chloro-5-(trifluoromethyl)phenyl]amino}methane-1-thioneHMS566I18Maybridge1_008818DTXSID90371534
Show more names
Chlotrifluoromethylphenylthiourea1-(2-CHLORO-5-TRIFLUOROMETHYLPHENYL)-2-THIOUREAThiourea, N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea97%1-[2-Chloro-5-(trifluoromethyl)phenyl]thiourea 97%
SBB101472AKOS005201887AS-9139FC90301CS-0316338ST50825966F721704
Database identifiers
- CAS
21714-35-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 140 · 140-142°C
- Boiling point
- 288.1 · 288.1±50.0 °C(Predicted)
- Density
- 1.562 · 1.562±0.06 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.70(Predicted)
- BRN
- 2735893 · 2735893
- CAS DataBase Reference
- 21714 · 21714-35-2(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 280 f-P309-P310 · P280f-P309-P310
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 2811 · UN2811
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
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, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- UN2811
- hs_code
- 2930909899
- risk_code
- 20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-36/37/39
- hazard_class
- 6.1
- Hazard statements
- H301
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280f-P309-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
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]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
凯姆斯（苏州）生物科技有限公司0512-67903504 13814824891;13814824891 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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