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Butyl nitrite

HCID 10996
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
544-16-1
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 물성보충 중

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 · 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
용해도
알코올: 혼화성(lit.)
물리적 상태
투명한 액체
색상
밝은 노란색에서 노란색까지
수용성
약간 용해됨

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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

REACH registered substance: Butyl nitrite (EC: 208-862-1)

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]
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

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.

상·하류 제품 정보

상류 원료

1-NITROBUTANE브롬화부틸요오드화부틸

하류 제품

Chlorphoxim2-Amino-5-hydroxypyridineDESACETYLVINBLASTINEAMIDE쿠페론네오쿠페론

관련 반응

265건
반응 기록 만들기
HRID 10458 반응식
HRID 10458반응물로uspto-grants-2006_08
HRID 20943 반응식
HRID 20943반응물로uspto-grants-2010_06
HRID 23120 반응식
HRID 23120반응물로uspto-grants-2005_02
HRID 33809 반응식
HRID 33809반응물로uspto-grants-2008_09
HRID 46642 반응식
HRID 46642반응물로uspto-grants-1979_11
HRID 46648 반응식
HRID 46648반응물로uspto-grants-1979_11
HRID 49662 반응식
HRID 49662반응물로uspto-grants-2004_03
HRID 49663 반응식
HRID 49663반응물로uspto-grants-2004_03
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화합물 노트

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더보기
새 노트새 반응견적 요청하기
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

Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

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.

Air and Water ReactionsHighly flammable. Slightly soluble in water.
Hazard Classes and Categories · 5건

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

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 Effects · 2건

Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Compound with “poor evidence” of ototoxicity (it is a questionably ototoxic substance).

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
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
4-N-Boc-2-메틸-피페라진
4-아미노살리실 산