4,5-디페닐-2-옥사졸에티올

4,5-Diphenyl-4-oxazoline-2-thione

HCID 853676

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6670-13-9
표준 SMILES: S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1
InChIKey: NYQSTRUSYDZNHC-UHFFFAOYSA-N
분자식: C15H11NOS
평균 분자량: 253.32 g/mol
단동위원소 질량: 253.05613497

개요

4,5-diphenyl-1,3-oxazole-2-thiol is a member of 1,3-oxazoles.

이름 및 식별자

우선 이름: 4,5-Diphenyl-4-oxazoline-2-thione
IUPAC: 4,5-diphenyl-3H-1,3-oxazole-2-thione
현지명: 4,5-디페닐-2-옥사졸에티올
영어명: 4,5-Diphenyl-2-mercaptooxazole
분자식: C15H11NOS
분자량: 253.32

이름 및 동의어

6670-13-94,5-Diphenyl-4-oxazoline-2-thioneEINECS 229-707-4DTXSID90216850RefChem:507872DTXCID20139341229-707-44,5-Diphenyloxazole-2(3H)-thione4,5-diphenyl-1,3-oxazole-2-thiol4,5-Diphenyl-2-mercaptooxazole4,5-Diphenyl-2-oxazolethiol4,5-Diphenyl-1,3-oxazole-2(3H)-thione

이름 더 보기

4,5-디페닐-2-옥사졸에티올4,5-디페닐-2-메르캅투옥사졸TIMTEC-BB SBB007600LABOTEST-BB LT001545724,5-DIPHENYL-OXAZOL-2-THIOL4,5-diphenylazole-2(3H)thione2 MERCAPTO-4,5-DIPHENYLOXAZOLE4,5-Diphenyl-2-oxazolethiol>4,5-Diphenyl-2-mercaptooxazole4,5-Diphenyl-2-oxazolethiol 98%

4,5-diphenyl-2,3-dihydro-1,3-oxazole-2-thione4,5-diphenyl-3H-1,3-oxazole-2-thione4,5-diphenyloxazole-2-thioldiphenyl-1,3-oxazole-2-thiolMFCD001736602-mercapto-4,5-diphenyl-oxazole4,5-Diphenyl-2-oxazolethiol, 98%CCG-46801

데이터베이스 식별자

CAS: 6670-13-9
PubChem CID: 853676
DTXSID: DTXSID90216850
ChEBI: CHEBI:228551
EC Number: 229-707-4
Nikkaji: J126.329C

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 352

물리화학적 성질

녹는점: 254 · 254-257 °C(lit.)
끓는 점: 390.6 · 390.6±52.0 °C(Predicted)
밀도: 1.1949 · 1.1949 (rough estimate)
굴절률: 1.75 · 1.7500 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 8.15 · 8.15±0.60(Predicted)
색상: 흰색에서 밝은 노란색
InChI: 1S/C15H11NOS/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H,16,18)
InChIKey: NYQSTRUSYDZNHC-UHFFFAOYSA-N
SMILES: Sc1nc(-c2ccccc2)c(o1)-c3ccccc3

화학적 성질

light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.3%)

안전 데이터

wgk: 3
ridadr: UN 3335
HS 번호: 2934999090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사56 곳

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

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