2,5-Dimethoxythiophenol

HCID 519009CAS 1483-27-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(OC)c(S)c1
InChIKey
SESUUAOAUZDHHP-UHFFFAOYSA-N
분자식
C8H10O2S
평균 분자량
170.23 g/mol
단동위원소 질량
170.04015073

이름 및 식별자

우선 이름
2,5-Dimethoxythiophenol
IUPAC
2,5-dimethoxybenzenethiol
영어명
2,5-DIMETHOXYTHIOPHENOL
분자식
C8H10O2S
분자량
170.23

이름 및 동의어

2,5-Dimethoxythiophenol1483-27-8DTXSID30333873RefChem:82923DTXCID40284963626-652-1SESUUAOAUZDHHP-UHFFFAOYSA-N2,5-DimethoxybenzenethiolBenzenethiol, 2,5-dimethoxy-2,5-dimethoxybenzene-1-thiolMFCD000527383,6-dimethoxybenzenethiol
이름 더 보기
DiMethoxythiophenol2,5-DIMETHOXYTHIOPHE2,5-DIMETHOXYTHIOPHENE2C5-DIMETHOXYTHIOPHENOL2,5-Dimethoxy thiophenyl2,5-Dimethoxybenzenethiol, 2,5-Dimethoxyphenyl mercaptan
2,5-Dimethoxybenzenethiol #2,5-Dimethoxythiophenol, 98%AKOS009158941CS-W0176972,5-Dimethoxybenzenethiol;FT-0610414DTXSID3033SCHEMBL440122

데이터베이스 식별자

CAS
1483-27-8
PubChem CID
519009
DTXSID
DTXSID30333873
EC Number
626-652-1
Nikkaji
J276.686H

물성

구조 계산 물성

XLogP
2.2
극성 표면적
19.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

녹는점
248.3 · 248.3-252.0 °C (decomp)
끓는 점
88 · 88-90 °C/0.5 mmHg (lit.)
밀도
1.134 g/mL · 1.134 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.5860(lit.)
인화점
230 °F · >230 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

Clear colorless to Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (90.9%)

안전 데이터

wgk
3
ridadr
2810
HS 번호
2930909899
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야

용도2,5-Dimethoxythiophenol is a thiophenol derivative used in the preparation of dihydrofolate reductase inhibitors and potential antitumor agents.

일반 설명The s-alkylation of 2,5-dimethoxythiophenol with pentyl bromide and heptyl bromide was studied.

상·하류 제품 정보

공급사50 곳

青岛白鲸进出口贸易有限公司+86-13854236000; +85295407470 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

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