3,5-DIMETHOXYBENZOYL염화물

3,5-Dimethoxybenzoyl chloride

HCID 87003CAS 17213-57-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(OC)cc(C(=O)Cl)c1
InChIKey: FTHPLWDYWAKYCY-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.02402183

이름 및 식별자

우선 이름: 3,5-Dimethoxybenzoyl chloride
IUPAC: 3,5-dimethoxybenzoyl chloride
현지명: 3,5-DIMETHOXYBENZOYL염화물
영어명: 3,5-DIMETHOXYBENZOYL CHLORIDE
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

3,5-Dimethoxybenzoyl chloride17213-57-9Benzoyl chloride, 3,5-dimethoxy-EINECS 241-256-5NSC 156082DTXSID80938094RefChem:91567DTXCID001366641241-256-5FTHPLWDYWAKYCY-UHFFFAOYSA-NInChI=1/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2HMFCD00000676

이름 더 보기

3,5-DIMETHOXYBENZOYL염화물AKOS 91393TIMTEC-BB SBB009969LABOTEST-BB LTBB0007783,5-DimethoxybenzoylChloride>Benzoyl chloride, 3,5-dimethoxy-3,5-dimethoxybenzeneformylchloro3,5-Dimethoxybenzoyl chloride 97%3,5-Dimethoxybenzoyl chloride, ca. 92%

3,5-dimethoxybenzoylchloride3,5-Dimethoxybenzoic acid chloride3,5-Dimethoxybenzoyl chloride, 97%NSC-156082s11977AMY765NSC156082FT-0614642

데이터베이스 식별자

CAS: 17213-57-9
PubChem CID: 87003
DTXSID: DTXSID80938094
UNII: ND675MZX88
EC Number: 241-256-5
Nikkaji: J318.178B

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 43 · 43-46 °C (lit.)
끓는 점: 157 · 157-158 °C/16 mmHg (lit.)
밀도: 1.2799 · 1.2799 (rough estimate)
굴절률: 1.523 · 1.5230 (estimate)
인화점: 230 °F · >230 °F
저장 조건: RT, stored under nitrogen
물리적 상태: powder to lump
색상: 흰색에서 밝은 노란색
수용성: 물에서 가수분해됩니다.
BRN: 511839 · 511839
InChI: InChI=1S/C9H9ClO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3
InChIKey: FTHPLWDYWAKYCY-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC(OC)=CC(OC)=C1

화학적 성질

off-white to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 2916.39.7900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-19-21
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도3,5-Dimethoxybenzoyl chloride was used to study the mechanism and kinetics of solvolysis of 3,4- and 3,5-dimethoxybenzoyl chlorides in various binary solvents. 3,5-Dimethoxybenzoyl chloride undergoes addition reaction with 4,4-dimethyl-2-pentyne in presence of AlCl3 via 1,2- methyl shift. It is used as a chemical and organic intermediate.

일반 설명3,5-Dimethoxybenzoyl chloride undergoes addition reaction with 4,4-dimethyl-2-pentyne in presence of AlCl3 via 1,2- methyl shift.