2,5-디메틸푸란-3-카르보닐염화물

2,5-Dimethyl-3-furoyl Chloride

HCID 2734804CAS 50990-93-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C(=O)Cl)c(C)o1
InChIKey: RWORXZHVOUPMMM-UHFFFAOYSA-N
분자식: C7H7ClO2
평균 분자량: 158.58 g/mol
단동위원소 질량: 158.01345714

이름 및 식별자

우선 이름: 2,5-Dimethyl-3-furoyl Chloride
IUPAC: 2,5-dimethylfuran-3-carbonyl chloride
현지명: 2,5-디메틸푸란-3-카르보닐염화물
영어명: 2,5-DIMETHYLFURAN-3-CARBONYL CHLORIDE
분자식: C7H7ClO2
분자량: 158.58

이름 및 동의어

2,5-Dimethyl-3-furoyl Chloride2,5-dimethyl-3-furancarbonyl chlorideRefChem:444534610-594-92,5-Dimethylfuran-3-carbonyl chloride50990-93-72,5-Dimethyl-furan-3-carbonyl chloride2,5-dimethylfuran-3-carbonylchlorideMFCD002210733-Furancarbonyl chloride, 2,5-dimethyl-SCHEMBL388833DTXSID00370513

이름 더 보기

2,5-디메틸푸란-3-카르보닐염화물2,5-Dimethyl-3-furoylChloride>2,4-dimethylfuran-3-carbonyl chloride2,5-Dimethylfuran-3-carbonyl chloride,98%3-Furancarbonyl chloride, 2,5-dimethyl- (9CI)2,5-Dimethyl-3-Furancarbonyl chloride, oil, 95%

ALBB-011194BBL014856GEO-01192SBB050603STL197265AKOS005173306SB609692,5 dimethyl-furan-3-carbonyl chloride

데이터베이스 식별자

CAS: 50990-93-7
PubChem CID: 2734804
DTXSID: DTXSID00370513
EC Number: 610-594-9

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 30.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 20 °C · 20°C
끓는 점: 203 °C · 203 °C (lit.)
밀도: 1.19 g/mL · 1.19 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.507(lit.)
인화점: 198 °F · 198 °F
저장 조건: 2 · Inert atmosphere,2-8°C
수용성: 물과 반응합니다. 클로로포름과 에틸 아세테이트에 용해됩니다.
BRN: 116198 · 116198
InChI: 1S/C7H7ClO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3
InChIKey: RWORXZHVOUPMMM-UHFFFAOYSA-N
SMILES: Cc1cc(C(Cl)=O)c(C)o1

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (97.8%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 2932190090
risk_code: 34-20/21/22
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도They are admirably suited for studies on orientation of the furan nucleus, both by absolute and relative methods. In addition they make beta-substituted furans more accessible.