4-메틸-3-니트로벤조일클로라이드

4-Methyl-3-nitrobenzoyl chloride

HCID 66323CAS 10397-30-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(C(=O)Cl)cc1[N+](=O)[O-]
InChIKey: DXMHBBURYDVYAI-UHFFFAOYSA-N
분자식: C8H6ClNO3
평균 분자량: 199.59 g/mol
단동위원소 질량: 199.00362073

이름 및 식별자

우선 이름: 4-Methyl-3-nitrobenzoyl chloride
IUPAC: 4-methyl-3-nitrobenzoyl chloride
현지명: 4-메틸-3-니트로벤조일클로라이드
영어명: 4-Methyl-3-nitrobenzoyl chloride
분자식: C8H6ClNO3
분자량: 199.59

이름 및 동의어

4-Methyl-3-nitrobenzoyl chloride10397-30-53-Nitro-p-toluyl chlorideEINECS 233-858-1Benzoyl chloride, 4-methyl-3-nitro-DTXSID20146171RefChem:99777DTXCID4068662233-858-1DXMHBBURYDVYAI-UHFFFAOYSA-N4-Methyl-3-nitrobenzoylchloride3-Nitro-p-toluoyl chloride

이름 더 보기

4-메틸-3-니트로벤조일클로라이드SKL1285TIMTEC-BB SBB0079674-Methyl-3-nitrobenz3-NITRO-4-METHYLBENZOYLCHLORIDE4-METHYL-3-NITROBENZOYL CHLORIDE 99%4-METHYL-3-NITROBENZOYL CHLORIDE / 3-NITRO-P-TOLUYL CHLORIDE

MFCD000357474-methyl-3-nitro-benzoyl chloridep-Methyl-m-nitrobenzoylchloridSCHEMBL242546YRS5H97K47SCHEMBL302705764-methyl-3 nitrobenzoyl chlorideSBB007967

데이터베이스 식별자

CAS: 10397-30-5
PubChem CID: 66323
DTXSID: DTXSID20146171
UNII: YRS5H97K47
EC Number: 233-858-1
Nikkaji: J32.746H

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 20 · 20-21 °C(lit.)
끓는 점: 185 °C36 · 185 °C36 mm Hg(lit.)
밀도: 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.581(lit.)
인화점: 230 °F · >230 °F
물리적 상태: liquid
InChI: 1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3
InChIKey: DXMHBBURYDVYAI-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1[N+]([O-])=O)C(Cl)=O
NIST: 4 · 4-Methyl-3-nitrobenzoyl chloride(10397-30-5)

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 40 reports by companies from 1 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 3265 8/PG 2
HS 번호: 2916399090
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도4-Methyl-3-nitrobenzoyl chloride was used in the synthesis of 4-amino-1,5-naphthalenedisulphonate acid monosodium salt, an intermediate employed in the synthesis of modified suramin molecule.It may be used in the synthesis of the following:benzophenone derivativesubstituted 3-amino-4-methyl-N-phenylbenzamideretroamide4-methyl-3-nitro-N-phenylbenzamide

일반 설명4-Methyl-3-nitrobenzoyl chloride is a benzoyl chloride derivative. It has been reported to be synthesized from 4-methyl-3-nitrobenzoic acid.