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Benzododecinium chloride structure
Benzododecinium chloride structure

Benzododecinium chloride

Iupac Name:benzyl-dodecyl-dimethylazanium;chloride
CAS No.: 8001-54-5
Molecular Weight:283.88
Modify Date.: 2022-12-06 15:33
1. Names and Identifiers
1.1 Name
Benzododecinium chloride
1.2 Synonyms

Benzalkonium chloride (non-medicinal) BENZALKONIUM CHLORIDE, GEL BENZALKONIUM CHLORIDE, POWDER BenzalkoniumChlorideB.P. BenzalkoniumChloridePure

1.3 CAS No.
8001-54-5
1.4 EINECS(EC#)
616-786-9
1.5 Molecular Formula
C17H30ClN (isomer)
1.6 Inchi
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
1.7 InChIkey
JBIROUFYLSSYDX-UHFFFAOYSA-M
1.8 Canonical Smiles
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
1.9 Isomers Smiles
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
2. Properties
2.1 Density
0.98
2.1 Boiling point
>100°C/760mmHg
2.1 StorageTemp
Store below +30°C.
3. Safety and Handling
3.1 Hazard Codes
C,N
3.1 Risk Statements
21/22-34-50
3.1 Safety Statements
36/37/39-45-61
3.1 RIDADR
UN 3261 8/PG 3
3.1 WGK Germany
3
3.1 RTECS
BO3151000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H314 Causes severe skin burns and eye damage

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Question & Answer
  • Identification Product Name: Benzalkonium chloride Synonyms: BENZALKONIUM CHLORIDE, BP 99+%; BenzalkoniumChlorideB.P.; BenzalkoniumChloridePure; BENZALKONIUM CHLORIDE, PHARMA; BENZALKONIUM CHLORIDE SO..
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