(3-Chloro-2-hydroxypropyl)trimethylammonium chloride

HCID 18732CAS 3327-22-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[N+](C)(C)CC(O)CCl.[Cl-]
InChIKey: CSPHGSFZFWKVDL-UHFFFAOYSA-M
분자식: C6H15ClNO.Cl
평균 분자량: 188.09 g/mol

개요

structure in first source

이름 및 식별자

우선 이름: (3-Chloro-2-hydroxypropyl)trimethylammonium chloride
IUPAC: (3-chloro-2-hydroxypropyl)-trimethylazanium chloride

이름 및 동의어

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)

이름 더 보기

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)

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 79.6

실험 및 물리화학적 성질

Density1.2 g/cm³

SolubilitySolubility in water: miscible

Food Contact Substances · 3건

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

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

Physical Description · 2건

Liquid

COLOURLESS-TO-LIGHT-YELLOW CLEAR ODOURLESS LIQUID.

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 4건

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 · 4건

Carc. 2 (99.9%)

Carcinogenicity - category 2

Carcinogenicity - Category 2

Carc. 2

안전 및 보호

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 · 4건

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 · 1건

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.

독성 정보

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.