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Home > Encyclopedia > 3-BROMOBENZYLMERCAPTAN

3-BROMOBENZYLMERCAPTAN

3-BROMOBENZYLMERCAPTAN structure

3-BROMOBENZYLMERCAPTAN 

structure
  • CAS No:

    886497-84-3

  • Formula:

    C7H7BrS

  • Chemical Name:

    3-BROMOBENZYLMERCAPTAN

  • Synonyms:

    (3-bromophenyl)methanethiol;3-Bromobenzylmercaptan;3-bromobenzyl mercaptan;3-Bromo-alpha-toluenethiol;Benzenemethanethiol,3-bromo-;3-Bromobenzyl mercaptan, 98%;SCHEMBL7369600;(3-bromophenyl)methane-1-thiol;CTK5G1098;[S]CC1=CC=CC(Br)=C1

3-BROMOBENZYLMERCAPTAN Basic Attributes

203.1

201.94500

DTXSID60375761

2930909090

Characteristics

1

2.87890

colorless to lark liquid appearing to be rotten

1.493g/cm3

264.7ºC at 760 mmHg

113.9ºC

1.603

Insoluble in water. soluble in toluene.

Safety Information

III

6.1

UN2810

43

36/37

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:203.10
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:201.94518
Monoisotopic Mass:201.94518
Topological Polar Surface Area:1
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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