Benzoyl chloride, 3-nitro-
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기본 정보
- CAS
121-90-4- 표준 SMILES
O=C(Cl)c1cccc([N+](=O)[O-])c1- InChIKey
NXTNASSYJUXJDV-UHFFFAOYSA-N- 분자식
- C7H4ClNO3
- 평균 분자량
- 185.56 g/mol
- 단동위원소 질량
- 184.98797067
개요
M-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.
이름 및 식별자
- 우선 이름
- Benzoyl chloride, 3-nitro-
- IUPAC
- 3-nitrobenzoyl chloride
- 영어명
- m-Nitrobenzoyl chloride
- 분자식
- C7H4ClNO3
- 분자량
- 185.56
이름 및 동의어
3-Nitrobenzoyl chloride121-90-4M-NITROBENZOYL CHLORIDEBenzoyl chloride, 3-nitro-CCRIS 1186Chlorid kyseliny m-nitrobenzooveDTXSID9025740NSC 5380EINECS 204-505-9BRN 0777186Chlorid kyseliny m-nitrobenzoove [Czech]AI3-14869
이름 더 보기
m-Nitrobenzoyl chlorLABOTEST-BB LTBB000612m-Nitrobenzoylchroride3-nitro-benzoylchloridm-nitro-benzoylchlorid1 m-Nitrobenzoyl ChloroBenzoylchloride,3-nitro-3-NitrobenzoylChloride>
3-NITROBENZOIC ACID CHLORIDEDTXCID105740meta-nitrobenzoyl chlorideRefChem:5664573-NITROBENZOIC ACID, CHLORIDE204-505-9Benzoyl chloride, m-nitro-3-Nitro-benzoyl chloride
데이터베이스 식별자
- CAS
121-90-4- PubChem CID
- 8495
- DTXSID
DTXSID9025740- ChEMBL
CHEMBL1517721- UNII
- QAX5Y35ZPW
- EC Number
- 204-505-9
- Nikkaji
- J36.096A
물성
구조 계산 물성보충 중
- XLogP
- 2.8
- 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 PropertiesBoiling point
SolubilityDecomposes (NTP, 1992)
Flash Pointgreater than 233.6 °F (NTP, 1992)
Boiling Point527 to 532 °F at 760 mmHg (NTP, 1992)
Melting Point95 °F (NTP, 1992)
Vapor Density6.43 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical DescriptionM-nitrobenzoyl chloride is a yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.
물리화학적 성질
- 녹는점
- 31 · 31-34 °C(lit.)
- 끓는 점
- 275 · 275-278 °C(lit.)
- 밀도
- 1.42 · 1.42
- 굴절률
- 1.581 · 1.5810 (estimate)
- 인화점
- 230 °F · >230 °F
- 용해도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H311 (89.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]
P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards
ACUTE/CHRONIC HAZARDS: This chemical is unstable at room temperature or when exposed to sources of ignition. When heated to decomposition it emits highly toxic fumes. It will react with water or steam to produce toxic and corrosive fumes. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsWater-Reactive
Reactivity Profile
M-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 ReactionsMay be unstable to prolonged exposure to air. Decomposes in water and alcohol. (NTP, 1992).
Hazard Classes and Categories
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoyl chloride, 3-nitro-: ACTIVE
응용 분야
용도Manufacture of dyes for fabrics and color photography, intermediate in preparation of pharmaceuticals.
일반 설명Yellow to brown liquid. Unstable at room temperatures; requires refrigeration when not in use.
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