对甲基苄基溴

Description

p-Methylbenzyl bromide · CAS 104-81-4 · C8H9Br. UNII V2DIK2AP5I. Boiling Point: 220 °C; Boiling Point: BP: 218-220 °C at 740 mm Hg; 120 °C at 15 mm Hg; Melting Point: 34 °C.

Identification

CAS Registry Number	104-81-4
PubChem CID	7721
Molecular formula	C8H9Br
IUPAC name	1-(bromomethyl)-4-methylbenzene
UNII (FDA)	V2DIK2AP5I

Computed Descriptors

Molecular Weight	185.06
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	183.98876
Monoisotopic Mass	183.98876
Topological Polar Surface Area	0
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	220 °C
Boiling Point	BP: 218-220 °C at 740 mm Hg; 120 °C at 15 mm Hg
Melting Point	34 °C
Flash Point	98 °C (208 °F) - closed cup
Density	1.324 g/cu cm at 25 °C
Vapor Pressure	0.09 [mmHg]

Physical description & handling notes

• Needles from alcohol; [Merck Index] White crystals, insoluble in water; [MSDSonline]
• Needles from alcohol
• Insoluble in water
• Very soluble in chloroform, hot ether
• Soluble in ethanol; very soluble in ethyl ether, chloroform
• Stable under recommended storage conditions.

GHS Hazard Classification

Reported hazard statements	H314 (100%)

Documented Uses

• Used in organic synthesis and as a military tear gas; [Merck Index]
• Organic synthesis, tear gas. /Mixture of ortho-, meta-, and para-isomers/
• Occupational exposure to xylyl bromide may occur through inhalation and dermal contact with this compound at workplaces where xylyl bromide is produced or used.
• Bromination of xylene. /Mixture of ortho-, meta-, and para-isomers/
• Benzene, 1-(bromomethyl)-4-methyl-: INACTIVE
• Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

Synonyms

4-Methylbenzyl bromide; 1-(Bromomethyl)-4-methylbenzene; P-XYLYL BROMIDE; alpha-Bromo-p-xylene; Benzene, 1-(bromomethyl)-4-methyl-; p-Xylyl alpha-bromide; .alpha.-Bromo-p-xylene; HSDB 2193; UNII-V2DIK2AP5I; V2DIK2AP5I; EINECS 203-240-6; 4methylbenzyl bromide; NSC-8050; P-XYLYL BROMIDE [MI]; DTXSID7059305; P-XYLYL .ALPHA.-BROMIDE

Frequently Asked Questions

What are the CAS number and molecular formula of p-Methylbenzyl bromide?

CAS 104-81-4; molecular formula C8H9Br; molecular weight — g/mol.

What other names is p-Methylbenzyl bromide known by?

4-Methylbenzyl bromide, 1-(Bromomethyl)-4-methylbenzene, P-XYLYL BROMIDE, alpha-Bromo-p-xylene, Benzene, 1-(bromomethyl)-4-methyl-, p-Xylyl alpha-bromide.

Is p-Methylbenzyl bromide classified as hazardous?

Hazard statements reported: H314.

What are the key physical properties of p-Methylbenzyl bromide?

Boiling Point: 220 °C; Boiling Point: BP: 218-220 °C at 740 mm Hg; 120 °C at 15 mm Hg; Melting Point: 34 °C; Flash Point: 98 °C (208 °F) - closed cup.

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.