2,4-Dimethoxybenzoyl chloride

HCID 2734719CAS 39828-35-8

기본 정보

표준 SMILES: COc1ccc(C(=O)Cl)c(OC)c1
InChIKey: KVIUXRJCBBXEGJ-UHFFFAOYSA-N
분자식: C9H9ClO3
평균 분자량: 200.62 g/mol
단동위원소 질량: 200.02402183

이름 및 식별자

우선 이름: 2,4-Dimethoxybenzoyl chloride
IUPAC: 2,4-dimethoxybenzoyl chloride
영어명: 2,4-DIMETHOXYBENZOYL CHLORIDE
분자식: C9H9ClO3
분자량: 200.62

이름 및 동의어

2,4-Dimethoxybenzoyl chloride39828-35-8DTXSID50370462RefChem:246527DTXCID30321497628-203-5MFCD000175272,4-DimethoxybenzoylchlorideSCHEMBL2206812,4-dimethoxy benzoyl chlorideAKOS0091591292,4-dimethoxy-1-benzenecarbonyl chloride

이름 더 보기

Benzoyl chloride, 2,4-dimethoxy-2,4-Dimethoxybenzoyl chloride,98%2,4-dimethyloxybenzeneformylchloro2,4-Dimethoxybenzoyl chloride, 97+%2,4-DIMETHOXYBENZOYL CHLORIDE, TECH.Benzoyl chloride, 2,4-dimethoxy- (9CI)2,4-Dimethoxybenzoyl chloride technical grade

SY3582792,4-Dimethoxybenzoyl chloride, technical grade9N-827E85442FT-0639581DTXSID503702, 4-dimethoxybenzoyl chloride2,4-dimethoxy-benzoyl chloride

데이터베이스 식별자

CAS: 39828-35-8
PubChem CID: 2734719
DTXSID: DTXSID50370462
EC Number: 628-203-5
Nikkaji: J1.035.949J

물성

구조 계산 물성

XLogP: 2.6
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: 184

물리화학적 성질

녹는점: 58 · 58-60 °C (lit.)
끓는 점: 306.7 · 306.7±22.0 °C(Predicted)
밀도: 1.224 · 1.224
저장 조건: 2 · 2-8°C
InChI: 1S/C9H9ClO3/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
InChIKey: KVIUXRJCBBXEGJ-UHFFFAOYSA-N
SMILES: COc1ccc(C(Cl)=O)c(OC)c1

화학적 성질

beige to light brown 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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, 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. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29189990
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2,4-Dimethoxybenzoyl chloride may be used as starting reagent in the synthesis of coumestrol. It may be used in the synthesis of chromenoflavone, cycloartocarpesin trimethyl ether.

일반 설명2,4-Dimethoxybenzoyl chloride is a benzoyl chloride derivative.