1,1,1,3-테트라클로로프로판

1,1,1,3-Tetrachloropropane

HCID 14056

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1070-78-6
표준 SMILES: ClCCC(Cl)(Cl)Cl
InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N
분자식: C3H4Cl4
평균 분자량: 181.9 g/mol
단동위원소 질량: 179.90671085

개요

an intermediate in the production of chlorinated silicone fluids

이름 및 식별자

우선 이름: 1,1,1,3-Tetrachloropropane
IUPAC: 1,1,1,3-tetrachloropropane
현지명: 1,1,1,3-테트라클로로프로판
영어명: 1,1,1,3-Tetrachloro-propane
분자식: C3H4Cl4
분자량: 181.88

이름 및 동의어

1,1,1,3-Tetrachloropropane1070-78-6PROPANE, 1,1,1,3-TETRACHLORO-DM99MQP76VDTXSID8051546RefChem:70837DTXCID90300981,1,1,3-TCP213-981-71,1,1,3-Tetrachloro-propaneMFCD00054655BRN 1734994

이름 더 보기

1,1,1,3-테트라클로로프로판HCC-250fbTetrachloropropane1,1,1,3-TetrachlorpropanTetrachloropropane/250fb1,1,1,3-tetrachloro-propanpropane,1,1,1,3-tetrachloro-1,1,1,3-Tetrachloropropane (HC-250fb) 98%1,1,1,3-Tetrachloro-propaneTetrachlorpropan

EINECS 213-981-71,1,1,3-Tetrachloropropane (HC-250fb)UNII-DM99MQP76V4-01-00-00201 (Beilstein Handbook Reference)SCHEMBL432042SCHEMBL5398672SCHEMBL9631271BAA07078

데이터베이스 식별자

CAS: 1070-78-6
PubChem CID: 14056
DTXSID: DTXSID8051546
UNII: DM99MQP76V
EC Number: 213-981-7
Nikkaji: J35.469D

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 45.4

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

물리화학적 성질

녹는점: -35 °C · -35 °C
끓는 점: 159 °C · 159 °C
밀도: 1.47 · 1.47
굴절률: 1.481 · 1.4810-1.4850
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
InChI: InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2
InChIKey: UTACNSITJSJFHA-UHFFFAOYSA-N
SMILES: C(Cl)(Cl)(Cl)CCCl
NIST: 1 · Propane, 1,1,1,3-tetrachloro-(1070-78-6)
EPA: 1 · Propane, 1,1,1,3-tetrachloro- (1070-78-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Propane, 1,1,1,3-tetrachloro-

Propane, 1,1,1,3-tetrachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1,1,1,3-tetrachloro- 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)

Hazard Classes and CategoriesFlam. Liq. 3 (50%)

안전 데이터

tsca: TSCA listed
rtecs: TZ7000000
ridadr: 1993
HS 번호: 2903190090
hazard_code: Xi
포장분류: III
위험 등급: 3
기존화학 물질: 2015-3-6662

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000,000 - <100,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Propane, 1,1,1,3-tetrachloro-: ACTIVE

응용 분야 · 1건

용도1,1,1,3-Tetrachloropropane (TCP) is a polychlorinated alkane compound that can be used to prepare a new generation of refrigerant hydrofluoroolefins (HFOs). For the gas-phase fluorination of TCP with hydrogen fluoride (HF), iron supported on hollow nano-MgF2 particles (Fe/MgF2) outperforms the chromium system as a catalyst and has the potential to replace the chromium system.