2,3-Dimethylthiophene

HCID 34295

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 632-16-6
표준 SMILES: Cc1ccsc1C
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
분자식: C6H8S
평균 분자량: 112.19 g/mol
단동위원소 질량: 112.03467126

이름 및 식별자

우선 이름: 2,3-Dimethylthiophene
IUPAC: 2,3-dimethylthiophene
영어명: 2,3-Dimethylthiophene
분자식: C6H8S
분자량: 112.19

이름 및 동의어

2,3-Dimethylthiophene632-16-6Thiophene, 2,3-dimethyl-2,3-dimethyl-thiopheneVJY61TQ8W6EINECS 211-170-2UNII-VJY61TQ8W6DTXSID50212550RefChem:81870DTXCID80135041211-170-2BZYUMXXOAYSFOW-UHFFFAOYSA-N

이름 더 보기

thioxeneDimethylthiopene2,3-Dimethylthiophene,97%2,3-DiMethylthiophene, 97% 1GR2,3-Dimethylthiophene in isooctane2,3-Dimethylthiophene ISO 9001：2015 REACH

MFCD001300812.3-DimethylthiopheneDIMETHYLTHIOPHENE2,3-dirnethylthiophene2,3-dimethyl thiophene2,3- dimethyl-thiopheneSCHEMBL113923SCHEMBL129047

데이터베이스 식별자

CAS: 632-16-6
PubChem CID: 34295
DTXSID: DTXSID50212550
UNII: VJY61TQ8W6
EC Number: 211-170-2
Nikkaji: J110.440C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 61.2

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

Boiling Point138.00 to 140.00 °C. @ 760.00 mm Hg

Melting Point-49 °C

Physical DescriptionLiquid

물리화학적 성질

녹는점: -49 °C · -49°C
끓는 점: 140 · 140-141 C
밀도: 1.002 g/cm · 1.002 g/cm
굴절률: 1.517 · 1.517-1.521
인화점: 26 ° · 26° (79°F)
저장 조건: Flammables area
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 물에 불용성.
Henry's Law Constant: 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
SMILES: C1(C)SC=CC=1C
LogP: 2.502 · 2.502 (est)
NIST: 2 · Thiophene, 2,3-dimethyl-(632-16-6)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (25%)

안전 데이터

ridadr: UN1993
HS 번호: 29349990
risk_code: 20/21/22-11-36/37/38
hazard_code: Xn-F,Xi,Xn,F
safety_code: 9-36/37-33-16-26
위험 등급: 3
위험 참고 사항: Irritant

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도It has also been found that 2,3-dimethylthiophene can be formylated to yield a dimethylthiophene aldehyde, which as expected proved to have the aldehyde group in the free a-position.