3,4,4'-三氯卡苯胺

Description

3,4,4'-trichlorocarbanilide · CAS 101-20-2 · C13H9Cl3N2O. UNII BGG1Y1ED0Y. Boiling Point: 250 °C at 97.8 kPa (733 mm Hg); Melting Point: 482 to 493 °F (NTP, 1992); Melting Point: 491.2- 493.

Identification

CAS Registry Number	101-20-2
PubChem CID	7547
Molecular formula	C13H9Cl3N2O
IUPAC name	1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
UNII (FDA)	BGG1Y1ED0Y

Computed Descriptors

Molecular Weight	315.6
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	313.978046
Monoisotopic Mass	313.978046
Topological Polar Surface Area	41.1
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Boiling Point	250 °C at 97.8 kPa (733 mm Hg)
Melting Point	482 to 493 °F (NTP, 1992)
Melting Point	491.2- 493
Melting Point	254.4 °C
Melting Point	MP: 255.2-256 °C
Solubility	In water, 0.11 mg/L at 20 °C
Solubility	In methanol, 1.6 g/L at 35 °C
Density	0.336 g/cu cm at 20 °C
LogP	log Kow = 4.342 at 25 °C, pH 8.1
Dissociation Constants	pKa = 12.7

Physical description & handling notes

• Triclocarban appears as fine white plates or white powder. (NTP, 1992)
• White solid; [Merck Index]
• Fine white plates
• Fine plates
• Fine, white to off-white powder
• Slight, characteristic odor

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Preservative

GHS Hazard Classification

Reported hazard statements	H400 (96.8%), H410 (100%)

Documented Uses

• Used as an antiseptic in cleaning products; [Merck Index] Used for skin and mucous membrane disinfection; [Reference #1]
• Using Disinfectants or Biocides [Category: Clean]
• Bacteriostat and antiseptic in soaps and other cleansing compositions.
• Triclocarban is an anti-microbial active ingredient used globally in a wide range of personal cleansing products that include deodorant soaps, detergents, cleansing lotions, and wipes. In North America, triclocarban is used exclusively as an antimicrobial and preservative in bar and liquid soaps and body washes.
• Deodorant soaps contain an active ingredient such as 3,4,4'-trichlorocarbanilide (trichlocarban) to inhibit the growth of skin bacteria responsible for the formation of odor-causing substances from perspiration
• Information on 23 consumer products that contain Triclocarban in the following categories is provided:

Synonyms

Triclocarban; 101-20-2; 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea; 3,4,4'-TRICHLOROCARBANILIDE; Cutisan; Procutene; Solubacter; Cusiter; Genoface; Trilocarban; Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-; 3,4,4'-Trichlorodiphenylurea; Trichlocarban; Triclocarbanum; N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea; NSC-72005

Frequently Asked Questions

What are the CAS number and molecular formula of 3,4,4'-trichlorocarbanilide?

CAS 101-20-2; molecular formula C13H9Cl3N2O; molecular weight — g/mol.

What other names is 3,4,4'-trichlorocarbanilide known by?

Triclocarban, 101-20-2, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea, 3,4,4'-TRICHLOROCARBANILIDE, Cutisan, Procutene.

What is the regulatory status of 3,4,4'-trichlorocarbanilide?

Documented regulatory listings: CIR / INCI: Preservative.

Is 3,4,4'-trichlorocarbanilide classified as hazardous?

Hazard statements reported: H400, H410.

What are the key physical properties of 3,4,4'-trichlorocarbanilide?

Boiling Point: 250 °C at 97.8 kPa (733 mm Hg); Melting Point: 482 to 493 °F (NTP, 1992); Melting Point: 491.2- 493; Melting Point: 254.4 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.