(3-Chloro-2-hydroxypropyl)trimethylammonium chloride

HCID 18732CAS 3327-22-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C[N+](C)(C)CC(O)CCl.[Cl-]
InChIKey: CSPHGSFZFWKVDL-UHFFFAOYSA-M
分子式: C6H15ClNO.Cl
平均分子量: 188.09 g/mol

概要

structure in first source

名称と識別子

優先名称: (3-Chloro-2-hydroxypropyl)trimethylammonium chloride
IUPAC: (3-chloro-2-hydroxypropyl)-trimethylazanium chloride

名称と別名

3327-22-8(3-Chloro-2-hydroxypropyl)trimethylammonium chlorideDextrosil1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chlorideDTXSID30275343-Chloro-2-hydroxypropylammonium chlorideAPK4X6ZD793-Chloro-2-hydroxypropyltrimethylammonium chlorideNSC-51216AMMONIUM, (3-CHLORO-2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDEDTXCID2075341-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)

名称をさらに表示

CHPTAC cpdRefChem:691063-Cl-2-HP-TACl222-048-33-Chloro-2-hydroxypropyltrimethyl ammonium chlorideDextrosil KA(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride3-Chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride(65% in water)

データベース識別子

CAS: 3327-22-8
PubChem CID: 18732
DTXSID: DTXSID3027534
ChEMBL: CHEMBL1866981
UNII: APK4X6ZD79
EC Number: 222-048-3

物性

構造計算による物性

極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 79.6

実験および物理化学的性質

Density1.2 g/cm³

SolubilitySolubility in water: miscible

Food Contact Substances · 3 件

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2 件

Liquid

COLOURLESS-TO-LIGHT-YELLOW CLEAR ODOURLESS LIQUID.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Warning

H351 (99.9%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride

1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25086

1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride: Human health tier II assessment

Fire HazardsNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Chemical DangersDecomposes on heating. This produces toxic and flammable vapours.

Hazard Classes and Categories · 4 件

Carc. 2 (99.9%)

Carcinogenicity - category 2

Carcinogenicity - Category 2

Carc. 2

安全と保護具

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth.

Safe StorageStore in an area without drain or sewer access.

Spillage Disposal · 1 件

Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.

毒性情報

Exposure RoutesThe substance can be absorbed into the body in hazardous amounts by inhalation of its aerosol, through the skin and by ingestion.

ICSC Environmental DataThe substance is harmful to aquatic organisms. The substance may cause long-term effects in the aquatic environment. It is strongly advised not to let the chemical enter into the environment.