1,2-二溴-2,4-二氰基丁烷

Description

1,2-Dibromo-2,4-dicyanobutane · CAS 35691-65-7 · C6H6Br2N2. UNII YX089CPS05. Boiling Point: 212 °C; Melting Point: 52 °C; Melting Point: 51-52 °C.

Identification

CAS Registry Number	35691-65-7
PubChem CID	61948
Molecular formula	C6H6Br2N2
IUPAC name	2-bromo-2-(bromomethyl)pentanedinitrile
UNII (FDA)	YX089CPS05

Computed Descriptors

Molecular Weight	265.93
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	265.88772
Monoisotopic Mass	263.88977
Topological Polar Surface Area	47.6
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	212 °C
Melting Point	52 °C
Melting Point	51-52 °C
Density	0.970 g/mL at 20 °C
Vapor Pressure	0.00025 [mmHg]
Other Experimental Properties	MP 52.2-53.2 °C

Physical description & handling notes

• Crystals with a pungent odor. Insoluble in water. Used as a preservative in latex paint, adhesives, etc.
• Crystals with a pungent odor; [CAMEO]
• WHITE CRYSTALS WITH PUNGENT ODOUR.
• Yellowish-white granular solid
• Crystals from ethanol
• Slightly sweet odor

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS CIR / INCI: Cosmetic ingredients (Methyldibromo Glutaronitrile) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative
GHS notification summary	1.1% (15 / 1350)

GHS Hazard Classification

GHS notification summary	1.1% (15 / 1350)
Reported hazard statements	H302 (98.5%), H315 (81%), H317 (57.7%), H318 (89%), H400 (42.9%), H411 (12.7%)

Documented Uses

• CIR ingredient: Methyldibromo Glutaronitrile
• Euxyl K-400 is a biocide used in cosmetics, cleaning solutions, glues, paints, and metalworking fluids. Sensitization reported in masseurs, a beautician, an offset printer, machinists, and a hospital cleaner; [Kanerva, p. 1795]
• Metal Machining [Category: Heat or Machine]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• Using Disinfectants or Biocides [Category: Clean]
• Dressing Hair [Category: Other]

Synonyms

1,2-Dibromo-2,4-dicyanobutane; 35691-65-7; Bromothalonil; 2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE; Methyldibromoglutaronitrile; Tektamer 38; Tektamer; 2-Bromo-2-(bromomethyl)glutaronitrile; BBMG; MDBGN; Metacide 38; Tektamer 38AD; Tuopai DM 01; 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile; Pentanedinitrile, 2-bromo-2-(bromomethyl)-; Cosmoguard

Frequently Asked Questions

What are the CAS number and molecular formula of 1,2-Dibromo-2,4-dicyanobutane?

CAS 35691-65-7; molecular formula C6H6Br2N2; molecular weight — g/mol.

What other names is 1,2-Dibromo-2,4-dicyanobutane known by?

1,2-Dibromo-2,4-dicyanobutane, 35691-65-7, Bromothalonil, 2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE, Methyldibromoglutaronitrile, Tektamer 38.

What is the regulatory status of 1,2-Dibromo-2,4-dicyanobutane?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; CIR / INCI: Cosmetic ingredients (Methyldibromo Glutaronitrile) -> CIR (Cosmetic Ingredient Review).

Is 1,2-Dibromo-2,4-dicyanobutane classified as hazardous?

1.1% of GHS notifications report no hazard classification (15 of 1350).

What are the key physical properties of 1,2-Dibromo-2,4-dicyanobutane?

Boiling Point: 212 °C; Melting Point: 52 °C; Melting Point: 51-52 °C; Density: 0.970 g/mL at 20 °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.