1-페닐-1H-테트라졸-5-티올

1-Phenyl-5-mercaptotetrazole

HCID 690730CAS 86-93-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
S=c1nn[nH]n1-c1ccccc1
InChIKey
GGZHVNZHFYCSEV-UHFFFAOYSA-N
분자식
C7H6N4S
평균 분자량
178.22 g/mol
단동위원소 질량
178.03131719

개요

1-Phenyl-5-mercaptotetrazole is a member of tetrazoles.

이름 및 식별자

우선 이름
1-Phenyl-5-mercaptotetrazole
IUPAC
1-phenyl-2H-tetrazole-5-thione
현지명
1-페닐-1H-테트라졸-5-티올
영어명
1-Phenyltetrazole-5-thiol
분자식
C7H6N4S
분자량
178.21

이름 및 동의어

86-93-11-Phenyltetrazole-5-thiol1-Phenyl-5-mercaptotetrazoleMercaptophenyltetrazolePhenylmercaptotetrazole1-Phenyltetrazole-thiol1H-Tetrazole-5-thiol, 1-phenyl-2-Tetrazoline-5-thione, 1-phenyl-5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-1PI3BD9U68DTXSID1052589RefChem:435658
이름 더 보기
1-페닐-1H-테트라졸-5-티올PMT1-PHENYL-5-MERCAPTO-1,2,3,4-TETRAZOLE1-PHENYL-5-MERCAPTO-1H-TETRAZOLE1H-Phenyltetrazole-5-thiol1-Phenyl-1H-tetrazol-5-thiolPhenyl-5-Mercapto-1H-Tetrazole
DTXCID2031162201-710-51-Phenyl-1H-tetrazole-5-thiol5-Mercapto-1-phenyltetrazole1-Phenyltetrazoline-5-thione1-phenyl-2H-tetrazole-5-thione5-Mercapto-1-phenyl-1H-tetrazole1-Phenyl-5-tetrazolethione

데이터베이스 식별자

CAS
86-93-1
PubChem CID
690730
DTXSID
DTXSID1052589
ChEMBL
CHEMBL226652
ChEBI
CHEBI:79916
UNII
1PI3BD9U68
EC Number
201-710-5
Nikkaji
J39.092E

물성

구조 계산 물성

XLogP
2.8
극성 표면적
72.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings
Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
145 °C · 145 °C (dec.)(lit.)
끓는 점
342 °C · 342°C (rough estimate)
밀도
1.3046 · 1.3046 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
인화점
138 °C · 138°C
저장 조건
15 °C · Store at +15°C to +25°C.

화학적 성질

white fluffy or crystalline powder or crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.2% (1 of 84) of reports.

Danger

H228 (96.4%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-

REACH registered substance: 1-phenyltetrazole-5-thiol (EC: 201-710-5)

5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Amino-5-mercapto-1,2,4-triazole.
Hazard Classes and CategoriesFlam. Sol. 1 (96.4%)

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
XF7700000
ridadr
UN 1325 4.1/PG 2
HS 번호
29339990
risk_code
5-22-2017/5/22

화학 및 산업

용도 및 제조

General Manufacturing Information5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-: ACTIVE

응용 분야

용도1-Phenyl-1H-tetrazole-5-thiol is used as a corrosion inhibitor and as a reagent in the synthesis of Microcarpalide, a microfilament disrupting agent that is weakly cytotoxic to mammalian cells.

상·하류 제품 정보

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]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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