1-Nitrobutane
기본 정보
- CAS
52006-62-9- 표준 SMILES
CCCC[N+](=O)[O-]- InChIKey
NALZTFARIYUCBY-UHFFFAOYSA-N- 분자식
- C4H9NO2
- 평균 분자량
- 103.12 g/mol
- 단동위원소 질량
- 103.06332853
개요
1-nitrobutane is a colorless liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 1-Nitrobutane
- IUPAC
- 1-nitrobutane
- 영어명
- 1-Nitrobutane
- 분자식
- C4H9NO2
- 분자량
- 103.12
이름 및 동의어
1-NITROBUTANE627-05-4Butane, 1-nitro-CCRIS 30891-nitro-butaneNSC 3648EINECS 210-980-3BRN 1743017DTXSID8020967UNII-7R02589S2GAI3-001077R02589S2G
이름 더 보기
4-01-00-00277 (Beilstein Handbook Reference)NSC-3648MFCD0000740952006-62-9nitrobutaneNSC36481-Nitrobutane, 98%NITROBUTANE, 1-
데이터베이스 식별자
- CAS
52006-62-9、627-05-4- PubChem CID
- 12302
- DTXSID
DTXSID8020967- ChEMBL
CHEMBL1448549- ChEBI
CHEBI:138425- UNII
- 7R02589S2G
- EC Number
- 210-980-3
- Nikkaji
- J1.695K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 45.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 57.2
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesBoiling point
LogP1.38
Density0.971 (NTP, 1992) - Less dense than water; will float
SolubilitySlightly soluble (NTP, 1992)
Boiling Point307 °F at 760 mmHg (NTP, 1992)
Vapor Pressure3.79 [mmHg]
Physical Description
1-nitrobutane is a colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO]
물리화학적 성질
- 비열
- 1.12 J/ · Cp(gas): 1.12 J/(g·K), at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryHighly flammable; [CAMEO] May cause irritation; [MSDSonline] See Nitroethane.
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity AlertsHighly Flammable
Reactivity Profile
Nitroalkanes, such as 1-NITROBUTANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.
Air and Water Reactions
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