Benzalkonium Chloride

CAS Number: 8001-54-5

Molecular Formula: C22H40ClN

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Benzalkonium Chloride Specifications

CAS Number

8001-54-5

Molecular Formula

C22H40ClN

Molecular Weight

354.0 g/mol

IUPAC Name

benzyl-dimethyl-tridecylazanium chloride

Canonical SMILES

CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI Key

XIWFQDBQMCDYJT-UHFFFAOYSA-M

InChI

1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1

HSN No

34024110

CAS Number

8001-54-5

Molecular Formula

C22H40ClN

Molecular Weight

354.0 g/mol

IUPAC Name

benzyl-dimethyl-tridecylazanium chloride

Canonical SMILES

CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI Key

XIWFQDBQMCDYJT-UHFFFAOYSA-M

InChI

1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1

HSN No

34024110

Molecular Weight

354.0 g/mol

Density

0.98

Boiling point

>100°C/760mmHg

GHS Hazard Statements

H301 (24.5%), H302 (69.4%), H311 (17.8%), H312 (71%), H314 (99.4%), H318 (55.7%), H330 (11.5%), H332 (44.6%), H400 (54.8%), H410 (10.8%), H411 (15.6%)

Precautionary Statement Codes

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501