Basic information
- CAS
303062-92-2- Standard SMILES
Cc1cc(Br)cc(Br)c1NC(=S)NC(NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl- InChIKey
WGFNOZRQEJEJHX-UHFFFAOYSA-N- Molecular formula
- C17H13Br3Cl3N3OS
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 648.7395
Names & identifiers
- Preferred name
- 4-Bromo-N-(2,2,2-trichloro-1-(((2,4-dibromo-6-methylanilino)carbothioyl)amino)ethyl)benzamide
- IUPAC
- 4-bromo-N-[2,2,2-trichloro-1-[(2,4-dibromo-6-methylphenyl)carbamothioylamino]ethyl]benzamide
- English name
- 4-Bromo-N-(2,2,2-trichloro-1-{[(2,4-dibromo-6-methylanilino)carbothioyl]amino}ethyl)benzamide
- Molecular formula
- C17H13Br3Cl3N3OS
- Molecular weight
- 653.44
Names & synonyms
4-BROMO-N-(2,2,2-TRICHLORO-1-{[(2,4-DIBROMO-6-METHYLANILINO)CARBOTHIOYL]AMINO}ETHYL)BENZAMIDE4-Bromo-N-(2,2,2-trichloro-1-(((2,4-dibromo-6-methylanilino)carbothioyl)amino)ethyl)benzamideRefChem:520414303062-92-2656-991-0AKOS002686660Benzamide, 4-bromo-N-[2,2,2-trichloro-1-[[[(2,4-dibromo-6-methylphenyl)amino]thioxomethyl]amino]ethyl]-
Database identifiers
- CAS
303062-92-2- PubChem CID
- 4445684
- EC Number
- 656-991-0
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Density
- 1.922 · 1.922±0.06 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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]
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)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…