2-Nitrobenzoyl chloride
기본 정보
- CAS
610-14-0- 표준 SMILES
O=C(Cl)c1ccccc1[N+](=O)[O-]- InChIKey
BWWHTIHDQBHTHP-UHFFFAOYSA-N- 분자식
- C7H4ClNO3
- 평균 분자량
- 185.56 g/mol
- 단동위원소 질량
- 184.9879707
개요
O-nitrobenzoyl chloride is a crystalline solid. It is shock sensitive.
이름 및 식별자
- 우선 이름
- 2-Nitrobenzoyl chloride
- IUPAC
- 2-nitrobenzoyl chloride
- 영어명
- 2-Nitrobenzoyl chloride
- 분자식
- C7H4ClNO3
- 분자량
- 185.56
이름 및 동의어
2-Nitrobenzoyl chlorideO-NITROBENZOYL CHLORIDEBenzoyl chloride, 2-nitro-o-nitrobenzoic acid chlorideCCRIS 3135DTXSID4025741EINECS 210-206-4UNII-86W2G0JA5QBRN 077799186W2G0JA5QNITROBENZOYL CHLORIDE, O-4-09-00-01049 (Beilstein Handbook Reference)
이름 더 보기
2-nitro-benzoylchlorido-nitro-benzoylchloridORTHO-NITROBENZOYLCHLORIDE2-Nitrobenzoylchloride,94%2-Nitrobenzoyl chloride,95%2-Nitrobenzoic acid chloride
DTXCID505741ORTHO-NITROBENZOYL CHLORIDE2-NITROBENZOIC ACID, CHLORIDERefChem:887142-nitro benzoyl chlorideBWWHTIHDQBHTHP-UHFFFAOYSA-N610-14-0Benzoyl chloride, o-nitro-
데이터베이스 식별자
- CAS
610-14-0- PubChem CID
- 11875
- DTXSID
DTXSID4025741- ChEMBL
CHEMBL1897082- UNII
- 86W2G0JA5Q
- EC Number
- 210-206-4
- Nikkaji
- J96.224D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 62.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Boiling Point527 to 532 °F at 760 mmHg ; 306-309 °F at 18 mmHg (NTP, 1992)
Melting Point77 °F (NTP, 1992)
Physical DescriptionO-nitrobenzoyl chloride is a crystalline solid. It is shock sensitive.
물리화학적 성질
- 녹는점
- 17 · 17-20 °C (lit.)
- 끓는 점
- 148 · 148-149 °C/9 mmHg (lit.)
- 밀도
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.569(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 0 · 0-6°C
- 물리적 상태
- 녹은 후에 액체
- 색상
- 투명한 노란색에서 주황색, 진한 갈색까지
- BRN
- 777991 · 777991
- InChI
- 1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 41 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoyl chloride, 2-nitro-
2-Nitrobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsFlash point data is not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This chemical is an irritant to skin, eyes and tissues. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsExplosive
Reactivity Profile
O-NITROBENZOYL CHLORIDE is incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react with reducing agents. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Air and Water ReactionsInsoluble in water. Decomposes in water.
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoyl chloride, 2-nitro-: ACTIVE
응용 분야
일반 설명Crystalline solid. 2-Nitrobenzoyl chloride is shock sensitive.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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