Hydrazinecarbothioamide, N-phenyl-

HCID 730679CAS 5351-69-9

기본 정보

표준 SMILES: NNC(=S)Nc1ccccc1
InChIKey: KKIGUVBJOHCXSP-UHFFFAOYSA-N
분자식: C7H9N3S
평균 분자량: 167.23 g/mol
단동위원소 질량: 167.05171829

이름 및 식별자

우선 이름: Hydrazinecarbothioamide, N-phenyl-
IUPAC: 1-amino-3-phenylthiourea
영어명: 4-Phenyl-3-thiosemicarbazide
분자식: C7H9N3S
분자량: 167.23

이름 및 동의어

N-Phenylhydrazinecarbothioamide4-Phenyl-3-thiosemicarbazide4-PHENYLTHIOSEMICARBAZIDEHydrazinecarbothioamide, N-phenyl-4-(Phenyl)thiosemicarbazideNSC 704EINECS 226-329-1NSC 58946DTXSID6063808AI3-007064-PHENYL,3-THIO-SEMICARBAZIDERefChem:147022

이름 더 보기

usafek-5426AKOS B001502WLN: ZMYUS&MR4-PhenylthiosemicaTIMTEC-BB SBB0075384-PHENYL-3-THIOSEMIC4-phenyl-3-thio-semicarbazid

DTXCID3041453226-329-1InChI=1/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11KKIGUVBJOHCXSP-UHFFFAOYSA-NUSAF EK-5426USAF EL-455351-69-91-amino-3-phenylthiourea

데이터베이스 식별자

CAS: 5351-69-9
PubChem CID: 730679
DTXSID: DTXSID6063808
ChEMBL: CHEMBL4521724
UNII: RBH3R5JE2H
EC Number: 226-329-1
Nikkaji: J54.314D

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 82.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 138 · 138-140 °C (lit.)
끓는 점: 287.4 · 287.4±23.0 °C(Predicted)
밀도: 1.196 · 1.1960 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 50 mg/mL, · 메탄올: 50mg/mL, 투명
산도 계수 (pKa): 11.01 · 11.01±0.70(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 608285 · 608285
InChI: InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
InChIKey: KKIGUVBJOHCXSP-UHFFFAOYSA-N
SMILES: N(C(NC1=CC=CC=C1)=S)N
EPA: Hydrazinecarbothioamide, N-phenyl- (5351-69-9)

화학적 성질

white to slightly yellow fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (93.5%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationHydrazinecarbothioamide, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 2 (93.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VT4025000
ridadr: UN 2811 6.1/PG 2
HS 번호: 29309090
risk_code: 25
hazard_code: T,Xi
safety_code: 45
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationHydrazinecarbothioamide, N-phenyl-: ACTIVE

응용 분야

용도4-Phenylthiosemicarbazide was used in the synthesis of amberlite XAD resins. It was also used in the synthesis of a series of thiosemicarbazones.

상·하류 제품 정보

상류 원료

하류 제품

1-페닐-1H-테트라졸-5-티올 SALOR-INT L463264-1EA

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]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

연결된 노트

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