트리페닐메탄티올

Benzenemethanethiol, alpha,alpha-diphenyl-

HCID 77281CAS 3695-77-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: SC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: JQZIKLPHXXBMCA-UHFFFAOYSA-N
분자식: C19H16S
평균 분자량: 276.4 g/mol
단동위원소 질량: 276.09727151

이름 및 식별자

우선 이름: Benzenemethanethiol, alpha,alpha-diphenyl-
IUPAC: triphenylmethanethiol
현지명: 트리페닐메탄티올
영어명: Triphenylmethanethiol
분자식: C19H16S
분자량: 276.4

이름 및 동의어

TriphenylmethanethiolTriphenylmethyl mercaptan3695-77-0TritylthiolTrityl mercaptanMethanethiol, triphenyl-Triphenylmethylmercaptanalpha,alpha-DiphenylbenzenemethanethiolT7AQN86QSJEINECS 223-020-3HydrotriphenylsulfurNSC 22520

이름 더 보기

트리페닐메탄티올TIMTEC-BB SBB007907trityl hydrosulphideTriphenylmethanthioltriphenyl-methanethioTriphenymethyl mercaptan

Benzenemethanethiol, .alpha.,.alpha.-diphenyl-BRN 2113168Benzenemethanethiol, alpha,alpha-diphenyl-AI3-51275NSC-22520DTXSID10631424-06-00-05049 (Beilstein Handbook Reference)RefChem:563476

데이터베이스 식별자

CAS: 3695-77-0
PubChem CID: 77281
DTXSID: DTXSID1063142
ChEMBL: CHEMBL402454
UNII: T7AQN86QSJ
EC Number: 223-020-3
Nikkaji: J53.693H

물성

구조 계산 물성

XLogP: 4.7
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 235

물리화학적 성질

녹는점: 104 · 104-106 °C (lit.)
끓는 점: 379.3 °C · 379.3°C (rough estimate)
밀도: 1.1716 · 1.1716 (rough estimate)
굴절률: 1.617 · 1.6170 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 8.87 · 8.87±0.10(Predicted)
색상: 크림색에서 연한 노란색까지
수용성: 물에 녹지 않습니다.
BRN: 2113168 · 2113168
InChI: InChI=1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
InChIKey: JQZIKLPHXXBMCA-UHFFFAOYSA-N
SMILES: C(S)(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
EPA: Benzenemethanethiol, .alpha.,.alpha.-diphenyl- (3695-77-0)

화학적 성질

CREAM TO PALE YELLOW POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (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. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 17-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21135

Hazard Classes and CategoriesSkin Irrit. 2 (10.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: PB5335000
ridadr: UN 3335
HS 번호: 29309090
risk_code: 20
hazard_code: Xn
safety_code: 23
F 고인화성물질: 10-13
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanethiol, .alpha.,.alpha.-diphenyl-: ACTIVE

응용 분야 · 1건

용도Triphenylmethyl mercaptan, is used as a reagent used for the introduction of thiol group. Triphenylmethanethiol is a reagent used for the mild introduction of the mercapto functionality. It is also used as a pharmaceutical intermediate; Chemical synthesis.