Basic information
- CAS
302904-30-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)NC(NC(=S)Nc1ccc(Br)cc1)C(Cl)(Cl)Cl- InChIKey
HJGPVEKGBCCASP-UHFFFAOYSA-N- Molecular formula
- C25H39BrCl3N3OS
- Average molar mass
- 615.9 g/mol
- Monoisotopic mass
- 613.10628
Names & identifiers
- Preferred name
- N-(1-(((4-Bromoanilino)carbothioyl)amino)-2,2,2-trichloroethyl)hexadecanamide
- IUPAC
- N-[1-[(4-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide
- English name
- N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)hexadecanamide
- Molecular formula
- C25H39BrCl3N3OS
- Molecular weight
- 615.92466
Names & synonyms
N-(1-(((4-BROMOANILINO)CARBOTHIOYL)AMINO)-2,2,2-TRICHLOROETHYL)HEXADECANAMIDERefChem:823424302904-30-9663-885-8AKOS024423887N-(1-{[(4-bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)hexadecanamide
Database identifiers
- CAS
302904-30-9- PubChem CID
- 4419983
- EC Number
- 663-885-8
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- 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
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…