4-Chlorobenzoyl chloride (HCID 8501)

이름 및 식별자

우선 이름: 4-Chlorobenzoyl chloride
IUPAC: 4-chlorobenzoyl chloride
현지명: p-클로로벤조일 클로라이드
영어명: 4-Chlorobenzoyl chloride
분자식: C7H4Cl2O
분자량: 175.01

이름 및 동의어

4-CHLOROBENZOYL CHLORIDE122-01-0Benzoyl chloride, 4-chloro-p-Chlorobenzoyl chloridepara-Chlorobenzoyl chloride4-Chlorobenzoic acid chlorideDTXSID40516198UQ7JCV2YPEINECS 204-515-3Benzoyl chloride, p-chloro-CCRIS 8935AI3-14889

이름 더 보기

4-크로로안식향산클로라이드p-클로로안식향클로라이드산4-클로로벤조일클로라이드P-글로로벤조일클로라이드p-클로로벤조일클로라이드P-글로로벤조일클로라이드PCOCSKL7554-Chlorobenzoyl4-Chlorobenzoyl chloChloride to chlorine4-ChlorbenzoylchloridIndapamide Impurity ELABOTEST-BB LTBB0005694-chloro-benzoylchlorid

DTXCID9030171CHEBI:60716EC 204-515-3pChlorobenzoylchloridpChlorobenzoyl chlorideRefChem:98557Benzoyl chloride, 4chloro204-515-3

데이터베이스 식별자

CAS: 122-01-0
PubChem CID: 8501
DTXSID: DTXSID4051619
ChEBI: CHEBI:60716
UNII: 8UQ7JCV2YP
EC Number: 204-515-3
Nikkaji: J95.365B

물성

구조 계산 물성

XLogP: 3.6
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: 128

실험 및 물리화학적 성질

Vapor Pressure0.05 [mmHg]

Physical DescriptionClear colorless liquid; mp = 12-14 deg C; [Acros Organics MSDS]

물리화학적 성질

녹는점: 11 · 11-14 °C (lit.)
끓는 점: 102 · 102-104 °C/11 mmHg (lit.)
밀도: 1.365 g/mL · 1.365 g/mL at 20 °C (lit.)
증기압: 5.8 · 5.8-73.9Pa at 20-50℃
굴절률: 20 · n20/D 1.578(lit.)
인화점: 221 °F · 221 °F
저장 조건: 30 °C · Store below +30°C.
용해도: soluble in Chloroform, DMSO
물리적 상태: 액체
색상: 무색투명~엷은색
폭발한계: 1.5 · 1.5-15%(V)
수용성: 물과 반응합니다. 알코올과 반응합니다.
BRN: 471606 · 471606
안정성: 안정적인. 수분에 민감합니다. 강한 산화제와 호환되지 않습니다.
InChI: 1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey: RKIDDEGICSMIJA-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc(Cl)cc1
LogP: 2.52 at · 2.52 at 25℃
NIST: 4 · 4-Chlorobenzoic acid chloride(122-01-0)
EPA: 4 · Benzoyl chloride, 4-chloro- (122-01-0)

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (60.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (33.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Not Classified

유해성 정보

Regulatory Information · 3건

Chemical: Benzoyl chloride, 4-chloro-

Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601

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

Hazards Summary · 1건

Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs; [RTECS] A skin and eye irritant; May cause skin sensitization; [ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chloride; Causes burns and lachrymation; Inhalation may cause corrosive injuries to respiratory tract; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (99.4%)；Eye Dam. 1 (60.5%)；STOT SE 3 (33.8%)

독성 정보

Adverse Effects · 1건

Dermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Skin Sensitizer - An agent that can induce an allergic reaction in the skin.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

규제 정보

Regulatory Information · 3건

Chemical: Benzoyl chloride, 4-chloro-

Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601

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

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: DM6635510
ridadr: UN 3265 8/PG 2
HS 번호: 29163900
risk_code: 34-36/37
hazard_code: C
safety_code: 26-36/37/39-45-28A
포장분류: II
위험 등급: 8
기존화학 물질: KE-05542
F 고인화성물질: 10-19-21
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed to make fine chemicals; [ECHA REACH Registrations]

General Manufacturing InformationBenzoyl chloride, 4-chloro-: ACTIVE

응용 분야 · 2건

용도4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer. 4-Chlorobenzoyl chloride may be used in the following studies Acylation of benzene using different solid acid catalysts such as dodecatungstophosphoric acid (DTPA), DTPA/K-10 clay, K-10, Amberlite, Amberlyst-15, Indion-130, Filtrol-24 clay and sulfated zirconia, Preparation of 1-(4-chlorobenzoyl)-2, 7-dimethoxynaphthalene, Preparation of 4-chlorobenzoyl CoA, via reaction with CoA in KHCO3 buffer, Preparation of 1-aryloxyacetyl-4-(4-chlorobenzoyl)-semicarbazides.

일반 설명4-Chlorobenzoyl chloride is an acyl chloride. It reacts with 2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinane to yield the respective N-acyl selenophosphoramides.