Basic information
- CAS
13124-09-9- Standard SMILES
NC(=S)NNc1ccc(Cl)c(Cl)c1- InChIKey
KFDCINBRGZTQLH-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2N3S
- Average molar mass
- 236.12 g/mol
- Monoisotopic mass
- 234.9737738
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide
- IUPAC
- (3,4-dichloroanilino)thiourea
- English name
- 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide
- Molecular formula
- C7H7Cl2N3S
- Molecular weight
- 236.12
Names & synonyms
13124-09-92-(3,4-dichlorophenyl)-1-hydrazinecarbothioamide2-(3,4-Dichlorophenyl)hydrazinecarbothioamide(3,4-dichloroanilino)thiourea2-(3,4-dichlorophenyl)hydrazine-1-carbothioamide[(3,4-dichlorophenyl)amino]thioureaMFCD00792560Hydrazinecarbothioamide, 2-(3,4-dichlorophenyl)-MLS000861046SCHEMBL238488CHEMBL1307124KFDCINBRGZTQLH-UHFFFAOYSA-N
Show more names
AKOS BBS-000006061-(3,4-Dichlorophenyl)thiosemicarbazide4-(3,4-DICHLOROPHENYL)-3-THIOSEMICARBAZIDE
DTXSID401382605HMS1666L07HMS2786I213,4-dichlorophenylthiosemicarbazideSBB098531AKOS005069283CCG-253623SMR000459830
Database identifiers
- CAS
13124-09-9- PubChem CID
- 3759638
- DTXSID
DTXSID401382605- ChEMBL
CHEMBL1307124- EC Number
- 674-275-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Solubility20.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 219 · 219-220°C
- Boiling point
- 346.262 · 346.262±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.571 · 1.571±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.822 · 10.822±0.70(predicted)
- CAS DataBase Reference
- 13124 · 13124-09-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
2 records
Compound notes
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