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Sulfur Compounds
1-Methyl-1H-1,2,3-benzotriazole-4-sulfonyl chloride

1-Methyl-1H-1,2,3-benzotriazole-4-sulfonyl chloride - CAS 1033464-77-5

Catalog:	BB052191
Product Name:	1-Methyl-1H-1,2,3-benzotriazole-4-sulfonyl chloride
CAS:	1033464-77-5
Synonyms:	1-methyl-1H-benzotriazole-4-sulfonyl chloride; 1-Methyl-1H-benzo[d][1,2,3]triazole-4-sulfonyl chloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-methylbenzotriazole-4-sulfonyl chloride
Molecular Weight:	231.66
Molecular Formula:	C7H6ClN3O2S
Canonical SMILES:	CN1C2=C(C(=CC=C2)S(=O)(=O)Cl)N=N1
InChI:	InChI=1S/C7H6ClN3O2S/c1-11-5-3-2-4-6(14(8,12)13)7(5)9-10-11/h2-4H,1H3
InChI Key:	MWCCQCDMLOHIDD-UHFFFAOYSA-N
Boiling Point:	415.8±18.0 °C at 760 mmHg
Purity:	95%
Density:	1.68±0.1 g/cm3

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Related Functional Groups

Benzotriazoles

[89852-82-4]
2-Methyl-2H-1,2,3-benzotriazol-4-amine
[89852-83-5]
2-Methyl-2H-1,2,3-benzotriazol-5-amine
[1033464-75-3]
2-Methyl-2H-benzotriazole-4-sulfonyl chloride
[136-85-6]
5-Methylbenzotriazole
[1823790-58-4]
6-(Boc-aminomethyl)-1,2,3-benzotriazole
[1242336-69-1]
6-Bromo-5-fluorobenzotriazole

Halides

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[111-85-3]
1-Chlorooctane
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.9869253
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.9869253
Rotatable Bond Count:	1
Topological Polar Surface Area:	73.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1