4-Bromothioanisole (HCID 66037)

개요

structure given in first source

이름 및 식별자

우선 이름: 4-Bromothioanisole
IUPAC: 1-bromo-4-methylsulfanylbenzene
영어명: 4-Bromothioanisole
분자식: C7H7BrS
분자량: 203.1

이름 및 동의어

4-Bromothioanisole104-95-0Benzene, 1-bromo-4-(methylthio)-p-BromothioanisoleDTXSID90146209RefChem:520583DTXCID3068700203-255-81-Bromo-4-(methylthio)benzenep-Bromophenyl methyl sulfide4-Bromophenyl methyl sulfide1-Bromo-4-(methylsulfanyl)benzene

이름 더 보기

4-Bromo4-Brom-thioanisolP-BROMO THIOANISOLE4-bromofennel sulfide4-BROMOTHIOANISOLE 98%

(4-bromophenyl)(methyl)sulfane1-bromo-4-methylsulfanylbenzeneMethyl 4-bromophenylsulfideMFCD00000102Sulfide, p-bromophenyl methylNSC 73383p-Bromo(methylthio)benzene4-(METHYLTHIO)BROMOBENZENE

데이터베이스 식별자

CAS: 104-95-0
PubChem CID: 66037
DTXSID: DTXSID90146209
EC Number: 203-255-8
Nikkaji: J31.962G

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 25.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP2.78

물리화학적 성질

녹는점: 38 · 38-40 °C(lit.)
끓는 점: 128 · 128-130 °C10 mm Hg(lit.)
밀도: 1.5027 · 1.5027 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 저융점 결정질 덩어리, 결정, 결정질 분말 또는 덩어리
Specific Gravity: 1.07 · 1.07
색상: 흰색에서 베이지색
BRN: 1906693 · 1906693
InChI: InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: YEUYZNNBXLMFCW-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(SC)C=C1
NIST: 1 · Benzene, 1-bromo-4-(methylthio)-(104-95-0)

화학적 성질

white to beige low melting crystalline mass,

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (81.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27220

Hazard Classes and CategoriesAcute Tox. 4 (81.1%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 29093090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26
위험 등급: IRRITANT, STENCH
위험 참고 사항: Irritant/Stench
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Bromothioanisole was used in the synthesis of:4′-nitro-4-mercaptobiphenyl4′-iodo-4-mercaptobiphenyl3′-nitro-4-mercaptobiphenyl3′-iodo-4-mercaptiobiphenyl(S)-(–)-p-bromophenyl methyl sulfoxide

일반 설명4-Bromothioanisole undergoes Heck olefination reaction with styrenes to yield stilbenes.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

불러오는 중…

4-Bromothioanisole

기본 정보

개요