기본 정보
- 표준 SMILES
CCCCON=O- InChIKey
JQJPBYFTQAANLE-UHFFFAOYSA-N- 분자식
- C4H9NO2
- 평균 분자량
- 103.12 g/mol
- 단동위원소 질량
- 103.06332853
개요
Butyl nitrite appears as a yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
이름 및 식별자
- 우선 이름
- Butyl nitrite
- IUPAC
- butyl nitrite
- 영어명
- 1-Butyl nitrite
- 분자식
- C4H9NO2
- 분자량
- 103.12
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
544-16-1- PubChem CID
- 10996
- DTXSID
DTXSID8049418- ChEMBL
CHEMBL3181968- ChEBI
CHEBI:173360- UNII
- 44P8QG0F3T
- EC Number
- 208-862-1
- Nikkaji
- J4.511J
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 47
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Nitrates and Nitrites
Flammable agents - 3rd degree
Physical Description
Butyl nitrite appears as a yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
Oily liquid; [Merck Index]
물리화학적 성질
- 끓는 점
- 78 °C · 78 °C (lit.)
- 밀도
- 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
- 증기압
- 760 mm · 760 mm Hg ( 78 °C)
- 굴절률
- 20 · n20/D 1.376(lit.)
- 인화점
- 8 °F · 8 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 알코올: 혼화성(lit.)
- 물리적 상태
- 투명한 액체
- 색상
- 밝은 노란색에서 노란색까지
- 수용성
- 약간 용해됨
- Merck
- 14 · 14,1582
- BRN
- 1701036 · 1701036
- 안정성
- 감광성, 휘발성
- InChI
- 1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
- InChIKey
- NALZTFARIYUCBY-UHFFFAOYSA-N
- SMILES
- CCCCON=O
- LogP
- 2.35 · 2.35
- NIST
- n-Butyl nitrite(544-16-1)
- EPA
- Butyl nitrite (544-16-1)
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P316, P303+P361+P353, P304+P340, P316, P321, P330, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Status: Active Update: 29-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24419
Butyl nitrite: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Reactivity Profile
BUTYL NITRITE is an oxidizing agent but can serve as a reducing agent. May begin a vigorous reaction that culminates in a detonation if mixed with reducing agents, including hydrides, sulfides, nitrides, ammonium salts, cyanides, and many fuels.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flammable liquids - Category 2
Flammable agents - 3rd degree, Reactive agents - 3rd degree
Flam. Liq. 2
안전 및 보호
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RA0780000
- ridadr
- UN 2351 3/PG II/III (BUTYL NITRITES)
- 독성
- LD50 orally in Rabbit: 83 mg/kg
- HS 번호
- 29209090
- risk_code
- 11-23/25
- hazard_code
- F,T
- safety_code
- 16-24-45
- 포장분류
- II
- 위험 등급
- 3.1
- F 고인화성물질
- 8-10-23
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 3 OralFlam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
용도 및 제조
응용 분야
일반 설명A yellow oily liquid with a pleasant odor. A mixture of isomers (n-butyl, sec-butyl and tert-butyl). Slightly soluble in water. Slightly less dense than water. Vapors are much heavier than air. Flash point about 15°F. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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