1-Chloro-4-(methylthio)benzene

HCID 31243CAS 123-09-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CSc1ccc(Cl)cc1
InChIKey
KIQQUVJOLVCZKG-UHFFFAOYSA-N
분자식
C7H7ClS
평균 분자량
158.65 g/mol
단동위원소 질량
157.9956989

개요

structure given in first source

이름 및 식별자

우선 이름
1-Chloro-4-(methylthio)benzene
IUPAC
1-chloro-4-methylsulfanylbenzene
영어명
4-Chlorothioanisole
분자식
C7H7ClS
분자량
158.65

이름 및 동의어

123-09-14-Chlorophenyl methyl sulfidep-Chlorothioanisole1-CHLORO-4-(METHYLTHIO)BENZENEMethyl 4-chlorophenyl sulfideMethyl p-chlorophenyl sulfideSulfide, p-chlorophenyl methylDTXSID8023973031E43FWKKNSC-72090DTXCID403973CPMS
이름 더 보기
(4-chlorophenyl)(methyl)sulfane4-Chlorothioanisole,98%4-Chlorothioanisole >4-(Methylthio)chlorobenzenemethylp-chlorophenylsulfidesulfide,p-chlorophenylmethyl1-Methylthio-4-chlorobenzene4-CHLOROPHENYLMETHYLSULPHIDE
RefChem:522033para-chlorophenyl methyl sulfide204-600-54-ChlorothioanisoleBenzene, 1-chloro-4-(methylthio)-P-CHLOROPHENYL METHYL SULFIDE1-Chloro-4-(methylsulfanyl)benzenep-Chlophenyl methyl sulfide

데이터베이스 식별자

CAS
123-09-1
PubChem CID
31243
DTXSID
DTXSID8023973
ChEMBL
CHEMBL1898714
UNII
031E43FWKK
EC Number
204-600-5
Nikkaji
J1.303.776K、J31.963E

물성

구조 계산 물성

XLogP
3.1
극성 표면적
25.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
PesticidesPesticide -> EPA IRIS
Vapor Pressure0.11 [mmHg]
Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
18 · 18-19 °C
끓는 점
168 · 168-169 °C(lit.)
밀도
1.22 g/mL · 1.22 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.598(lit.)
인화점
229 °F · 229 °F
저장 조건
2 · 2-8°C, stored under nitrogen

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards Summary · 1건

A mild eye irritant; Causes general anesthesia and dyspnea in oral lethal-dose studies of mice; Causes changes in recordings from specific areas of the brain and weight loss in oral lethal-dose studies of rats; Causes changes in liver weights and normocytic anemia in 91-day oral studies of rats; [RTECS] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl phenyl sulfide.

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
EPA IRIS Informationp-Chlorophenyl methyl sulfide

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
WQ3840000
ridadr
2810
독성
mouse,LD50,oral,672mg/kg (672mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: GENERAL ANESTHETICLUNGS, THORAX, OR RESPIRATION: DYSPNEA,National Technical Information Service. Vol. AD-A082-824,
HS 번호
29309090

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-4-(methylthio)-: INACTIVE

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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