Benzenamine, 3-(methylthio)- (HCID 15693)

이름 및 식별자

우선 이름: Benzenamine, 3-(methylthio)-
IUPAC: 3-methylsulfanylaniline
영어명: 3-(METHYLTHIO)ANILINE
분자식: C7H9NS
분자량: 139.22

이름 및 동의어

3-(Methylthio)aniline3-AminothioanisoleBenzenamine, 3-(methylthio)-m-Aminothioanisole3-Methylmercaptoaniline3-Methylthiobenzenaminem-Aminophenyl methyl sulfideANILINE, m-(METHYLTHIO)-NSC 66274EINECS 217-232-5BRN 20785993-(METHYLTHIO)BENZENAMINE

이름 더 보기

AKOS 911413-MethylthioM-THIOANISIDINE3-Aminothionisole3-(METHYLTHIO)ANILIN

4-13-00-01007 (Beilstein Handbook Reference)RefChem:561715217-232-51783-81-9m-(Methylthio)aniline3-methylsulfanylaniline3-(Methylmercapto)aniline3-(Methylsulfanyl)aniline

데이터베이스 식별자

CAS: 1783-81-9
PubChem CID: 15693
DTXSID: DTXSID9061964
UNII: SX8QUU8UMZ
EC Number: 217-232-5
Nikkaji: J80.316B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 51.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

끓는 점: 163 · 163-165 °C16 mm Hg(lit.)
밀도: 1.13 g/mL · 1.13 g/mL at 25 °C(lit.)
증기압: 1.66 Pa · 1.66Pa at 25℃
굴절률: 20 · n20/D 1.637(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 3.96 · 3.96±0.10(Predicted)
Specific Gravity: 1 · 1/130
색상: Colorless to Light orange to Yellow
BRN: 2078599 · 2078599
InChI: 1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
InChIKey: KCHLDNLIJVSRPK-UHFFFAOYSA-N
SMILES: CSc1cccc(N)c1
LogP: 1.68 · 1.68
NIST: 3 · 3-CH3SC6H4NH2(1783-81-9)
EPA: m-(Methylthio)aniline (1783-81-9)

화학적 성질

clear dark brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 01-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30021

Hazard Classes and CategoriesAcute Tox. 4 (14.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BY6301000
ridadr: UN 2810 6.1/PG 3
독성: LD50 orl-qal: 750 mg/kg AECTCV 12,355,83
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT, STENCH
F 고인화성물질: 2-8-13
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 3-(methylthio)-: INACTIVE

응용 분야

용도3-(Methylthio)aniline was used in the synthesis of phenyl azobenzene sulfonamide derivatives.

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]

苏州道澜生物医药科技有限公司15952404857 · [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]

연결된 노트

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Benzenamine, 3-(methylthio)-

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