p-톨루오일 염화물

4-Methylbenzoyl Chloride

HCID 13405CAS 874-60-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(C(=O)Cl)cc1
InChIKey: NQUVCRCCRXRJCK-UHFFFAOYSA-N
분자식: C8H7ClO
평균 분자량: 154.59 g/mol
단동위원소 질량: 154.01854252

이름 및 식별자

우선 이름: 4-Methylbenzoyl Chloride
IUPAC: 4-methylbenzoyl chloride
현지명: p-톨루오일 염화물
영어명: p-Toluoyl chloride
분자식: C8H7ClO
분자량: 154.59

이름 및 동의어

4-Methylbenzoyl chloridep-TOLUOYL CHLORIDE874-60-2p-Methylbenzoyl chlorideBenzoyl chloride, 4-methyl-4-Toluoyl chloridep-Toluic acid chloridep-Toluyl chloride4-Methylbenzoic acid chlorideDTXSID5052595EINECS 212-864-8UNII-092E36PWL4

이름 더 보기

p-톨루오일염화물p-톨루오일염화물(p-TOLUOYLCHLORIDE)PTC2-chloro-5-MethylbenzaldehydeBenzoylchloride,4-methyl-p-Toluoyl chlori4-Methylbenzoyl chlo

BRN 0471492CCRIS 8620092E36PWL44-METHYLBENZENECARBONYL CHLORIDEDTXCID20311684-09-00-01733 (Beilstein Handbook Reference)RefChem:99850InChI=1/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H

데이터베이스 식별자

CAS: 874-60-2
PubChem CID: 13405
DTXSID: DTXSID5052595
ChEMBL: CHEMBL3561345
UNII: 092E36PWL4
EC Number: 212-864-8
Nikkaji: J32.727A

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

녹는점: -4 · -4--2 °C (lit.)
끓는 점: 225 · 225-227 °C (lit.) 95-96 °C/10 mmHg (lit.)
밀도: 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
증기 밀도: 5.33 · 5.33 (vs air)
증기압: 0.55 mm · 0.55 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.553(lit.)
인화점: 180 °F · 180 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 액체
Specific Gravity: 1.169 · 1.169
색상: 투명한 무색~약간 갈색
수소이온지수(pH): 1 · 1 (H2O, 20℃)
폭발한계: 1.6 %, · 1.6%, 117°F
수용성: 물 알코올과 반응합니다.
BRN: 471492 · 471492
NIST: 4 · 4-Methylbenzoic acid chloride(874-60-2)
EPA: 4 · Benzoyl chloride, 4-methyl- (874-60-2)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY BROWNISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1% (2 of 205) of reports.

Danger

H290 (51.2%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 205 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 09-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25308

4-Toluoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesMet. Corr. 1 (51.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XV1660000
ridadr: UN 3265 8/PG 2
HS 번호: 29163900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-24/25
포장분류: II
위험 등급: 8
기존화학 물질: KE-23506

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoyl chloride, 4-methyl-: ACTIVE

응용 분야

일반 설명p-Toluoyl chloride causes the benzoylation of toluene using triflic acid funtionalized mesoporous Zr-TMS catalysts. It causes1,9-diacylation of a dipyrromethane using the hindered Grignard reagent 2,6-dimethylphenylmagnesium bromide.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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