Butyl nitrite

HCID 10996CAS 544-16-1

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

Butyl nitrite544-16-1N-BUTYL NITRITENitrous acid, butyl ester44P8QG0F3TNSC-8426RefChem:829371208-862-11-Butyl nitriteNitrous Acid Butyl EsterNitrous acid, n-butyl esterN-Butylnitrite
이름 더 보기
P95AT-V1AT-V2NCL-C-56553N-Butynitrite
ButylnitriteNCI-C56553NSC 8426DTXSID8049418n-C4H9ONOMFCD00002058Butyl ester of nitrous acidNBN

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

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

Vapor Pressure81.3 [mmHg]
Physical Description · 2건

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

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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.)

Other Safety InformationIMAP assessments - Nitrous acid, butyl ester: Environment tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Health HazardsExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Hazards SummaryVasodilator effects similar to amyl nitrate; [Merck Index] An irritant; May cause lacrimation; Can induce methemoglobinemia; [MSDSonline]

안전 및 보호

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
First AidExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 420 ppm/4h

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

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Cellular LocationsCytoplasm

용도 및 제조

UsesUsed to make rare earth azides; [Merck Index]
General Manufacturing InformationNitrous acid, butyl ester: ACTIVE
응용 분야 · 1건

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.

공급사50 곳

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