Basic information
- CAS
369-77-7- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
ZFSXZJXLKAJIGS-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2F3N2O
- Average molar mass
- 349.1 g/mol
- Monoisotopic mass
- 348.0044028
Overview
Halocarban is a phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. It has a role as an antibacterial agent. It is a member of phenylureas and a member of monochlorobenzenes. It contains a trifluoromethyl group.
Names & identifiers
- Preferred name
- Halocarban
- IUPAC
- 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
- English name
- Cloflucarban
- Molecular formula
- C14H9Cl2F3N2O
- Molecular weight
- 349.14
Names & synonyms
HalocarbanCloflucarban369-77-7HalocarbanoHalocarbanumTrifluoromethyldichlorocarbanilideDTXSID00486844,4'-Dichloro-3-(trifluoromethyl)carbanilideI5ZZY3DC5GNSC-114133CHEBI:135477NSC114133
Show more names
TFCHalocarbonIrgosan CF3TRIFLUOROMETHYL44DICHLOROCARBANILIDE44DICHLORO3TRIFLUOROMETHYLCARBANILIDE4,4'-Dichlro-3-(trifluoromethyl)carbanilideN-(3-Trifluoromethyl-4-chlorophenyl)-N'-(4-chlorophenyl)urea1-(4-Chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
3-Trifluoromethyl-4,4'-dichlorocarbanilideDTXCID0028610N-(4-Chlorophenyl)-N'-(4-chloro-3-(tifluoromethyl)phenyl)ureaN-(4-Chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)urea4,4'-Dichloro-3-(trifluoromethyl)-carbanilideN-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]ureaRefChem:127042206-724-5
Database identifiers
- CAS
369-77-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
CosmeticsAntimicrobial; Deodorant
LogP2.93
Physicochemical properties
- Melting point
- 214 · 214-215°
- Boiling point
- 328.8 · 328.8±42.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 12.89 · 12.89±0.70(Predicted)
- form
- Solid
- color
- White to off-white
- Cosmetics Ingredients Functions
- ANTIMICROBIALDEODORANT
- LogP
- 6.33 · 6.330 (est)
- FDA 21 CFR
- 310.545 · 310.545
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 5 ZZY3DC5G · I5ZZY3DC5G
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial; Deodorant
General Manufacturing InformationUrea, N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]-: INACTIVE
Applications
UsesDisinfectant.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
北京华美互利生物化工010-56205725 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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