3,3',4,4'-Tetrachlorocarbanilide

HCID 95783
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
4300-43-0
Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1
InChIKey
ZDPIZPXVHVYTOK-UHFFFAOYSA-N
Molecular formula
C13H8Cl4N2O
Average molar mass
350 g/mol
Monoisotopic mass
347.9390736

Names & identifiers

Preferred name
3,3',4,4'-Tetrachlorocarbanilide
IUPAC
1,3-bis(3,4-dichlorophenyl)urea
English name
N,N′-BIS-(3,4-DICHLOROPHENYL)UREA
Molecular formula
C13H8Cl4N2O
Molecular weight
350.03

Names & synonyms

1,3-bis(3,4-dichlorophenyl)urea4300-43-03,3',4,4'-Tetrachlorocarbaniliden,n'-bis(3,4-dichlorophenyl)ureaUNII-W5A83C0L6PNSC 70259Urea, N,N'-bis(3,4-dichlorophenyl)-W5A83C0L6PNSC 35217NSC-35217NSC-702593'-CHLORO TRICLOCARBAN
Show more names
Valine Impurity 96Triclocarban Related CoMpound CUrea,N,N’-bis(3,4-dichlorophenyl)C10651800 N,N`-Bis-(3,4-dichlorophenyl)ureaTriclocarban Related Compound C (1,3-Bis(3,4-dichlorophenyl)urea) (1681845)
DTXSID201956243,4,3',4'-TETRACHLORODIPHENYLUREARefChem:90625DTXCID60118115672-237-31,3-Bis-(3,4-dichlorophenyl)ureaMMV665852MFCD00171464

Database identifiers

CAS
4300-43-0
PubChem CID
95783
DTXSID
DTXSID20195624
ChEMBL
CHEMBL10835
UNII
W5A83C0L6P
EC Number
672-237-3
Nikkaji
J1.468.705J

Properties

Computed structural properties

XLogP
6
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
20

Physicochemical properties

Melting point
281 · 281-282 °C
Boiling point
369.2 · 369.2±42.0 °C(Predicted)
Density
1.608 · 1.608±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
12.16 · 12.16±0.70(Predicted)
FDA UNII
5 A83C0L6P · W5A83C0L6P

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.

Warning

H319 (51.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (51.9%)

Safety data

hs_code
2924210000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H413
Precautionary statements
P264-P273-P280-P305+P351+P338-P337+P313-P501

Chemistry & industry

Applications

Uses3,3'',4,4''-Tetrachlorocarbanilide is a chlorocarbanilide co-contaminate in US aquatic environments.

Suppliers25 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…