벤조(B)나프토(2,1-D)티오펜

Benzo(b)naphtho(2,1-d)thiophene

HCID 9198CAS 239-35-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc2c(c1)ccc1c3ccccc3sc21
InChIKey: YEUHHUCOSQOCIX-UHFFFAOYSA-N
분자식: C16H10S
평균 분자량: 234.3 g/mol
단동위원소 질량: 234.05032132

개요

Benzo[b]naphtho[2,1-d]thiophene is an organic heterotricyclic compound and an organosulfur heterocyclic compound.

이름 및 식별자

우선 이름: Benzo(b)naphtho(2,1-d)thiophene
IUPAC: naphtho[1,2-b][1]benzothiole
현지명: 벤조(B)나프토(2,1-D)티오펜
영어명: Benzo(b)naphtho(2,1-d)thiophene
분자식: C16H10S
분자량: 234.32

이름 및 동의어

Benzo[b]naphtho[2,1-d]thiophene239-35-01,2-Benzo-9-thiafluoreneBenzo(a)dibenzothiopheneBENZO(B)NAPHTHO(2,1-D)THIOPHENE11-Thiabenzo(a)fluoreneNaphtho(1,2-b)thianaphtheneBenzo[a]dibenzothiopheneNaphtho[1,2-b]thianaphtheneTSV456A44DNSC-89259DTXSID8075205

이름 더 보기

벤조(B)나프토(2,1-D)티오펜Zavegepant Impurity 53,4-BenzodibenzothiopheneBENZO[B]NAPHTHO[2,1-D]THIOPHBENZO(B)NAPH(2,1-D)THIOPHENEBENZONAPHTHO(2,1-D)THIOPHENE

RefChem:565138DTXCID1036961205-948-01,2-Benzodiphenylene sulfidenaphtho[1,2-b][1]benzothioleMFCD00010043CCRIS 4012EINECS 205-948-0

데이터베이스 식별자

CAS: 239-35-0
PubChem CID: 9198
DTXSID: DTXSID8075205
ChEBI: CHEBI:177498
UNII: TSV456A44D
EC Number: 205-948-0
Nikkaji: J193.685I

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 17
형식 전하: 0
복잡도: 287

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

물리화학적 성질

녹는점: 188 · 188-190 °C (lit.)
끓는 점: 434.3 · 434.3±14.0 °C(Predicted)
밀도: 1.292 · 1.292±0.06 g/cm3(Predicted)
용해도: 2.5 %, · 클로로포름: 가용성 2.5%, 투명하거나 매우 약간 흐릿함, 무색 내지 희미한 노란색 또는 황갈색
물리적 상태: solid
InChI: 1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H
InChIKey: YEUHHUCOSQOCIX-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)ccc3c4ccccc4sc23
EPA: 2 · Benzo[b]naphtho[2,1-d]thiophene (239-35-0)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazards Summary · 1건

There is no data available on cancer in humans. There is limited evidence of carcinogenicity in experimental animals. Benzo(b)naphtho(2,1-d)thiophene is not classifiable as to its carcinogenicity in humans. [IARC, Vol. 103, 2013] May cause skin and eye irritation; [MSDSonline] Classified as a heterocyclic aromatic compound; [HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesNot Classified

독성 정보

Carcinogen Classification · 5건

Benzo[b]naphtho[2,1-d]thiophene

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 103: (2013) Bitumens and Bitumen Emissions, and some N- and S-Heterocyclic Aromatic Hydrocarbons

2013

2011

안전 데이터

wgk: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1,2-Benzodiphenylene sulfide has been used in direct screening of sediment samples for polycyclic aromatic hydrocarbons by flow manifold coupled on-line to a fluorimetric detector.

일반 설명1,2-benzodiphenylene sulfide is a rare constituent of coal tar. Photodeoxygenation of 1,2-benzodiphenylene sulfoxide, generates an intermediate capable of oxidizing the solvent benzene to phenol. Liquid-phase photolysis of 1,2-benzodiphenylene sulfide to generate atomic oxygen [O(3P)] or an equivalent active oxygen species has been reported.

공급사17 곳

Aladdin Scientific[email protected]

Syntechem Co.,Ltd[email protected]

宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海稳同科技有限公司02151600108 13062666369 · [email protected]

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