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질산 아이소프로필

Isopropyl nitrate

HCID 15575
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1712-64-7
표준 SMILES
CC(C)O[N+](=O)[O-]
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
분자식
C3H7NO3
평균 분자량
105.09 g/mol
단동위원소 질량
105.04259308

개요

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

이름 및 식별자

우선 이름
Isopropyl nitrate
IUPAC
propan-2-yl nitrate
현지명
질산 아이소프로필
영어명
Isopropyl nitrate
분자식
C3H7NO3
분자량
105.09

이름 및 동의어

ISOPROPYL NITRATE1712-64-7Nitric acid, 1-methylethyl esterNitric acid, isopropyl esterIsopropylester kyseliny dusicneUPE48E4UJ4NSC-88934DTXSID5061908RefChem:149831DTXCID2035483216-983-6propan-2-yl nitrate
이름 더 보기
질산아이소프로필이소프로필니트레이트질산 아이소프로필(CH3)2CHONO2propane-2-nitrate2-Nitrooxypropaneisopriopyl nitrate2-Propanol nitratePropan-2-ol nitrate1-methylethyl nitrate
IsopropylnitrateNITRIC ACID ISOPROPYL ESTERMFCD000070412-propyl nitrateEINECS 216-983-6NSC 88934UN1222Isopropylester kyseliny dusicne [Czech]

데이터베이스 식별자

CAS
1712-64-7
PubChem CID
15575
DTXSID
DTXSID5061908
ChEMBL
CHEMBL401410
UNII
UPE48E4UJ4

물성

구조 계산 물성

XLogP
1.3
극성 표면적
55.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
7
형식 전하
0
복잡도
65.1

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
Density1.036 @25 °C
Boiling Point102 °C @760 [mm Hg]
Vapor Pressure34.1 [mmHg]
Physical Description · 2건

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

Clear colorless liquid with a pleasant odor; [CAMEO]

물리화학적 성질

녹는점
-99.99 °C · -99.99°C
끓는 점
101 · 101-102 °C(lit.)
밀도
1.04 g/mL · 1.040 g/mL at 20 °C(lit.)
증기압
36 · 36-49.996hPa at 20℃
굴절률
20 · n20/D 1.391(lit.)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Nitric acid, 1-methylethyl ester

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24787

Isopropyl nitrate: 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.)

DOT LabelFlammable Liquid
Fire Hazards · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA strong oxidizing agent; [CAMEO] May cause irritation; May induce methemoglobinemia; Targets the blood, nerves, and smooth muscle; [Sigma-Aldrich MSDS] See Amyl nitrate.
DOT ID and Guide1222 130
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

화학 및 산업

용도 및 제조

General Manufacturing InformationNitric acid, 1-methylethyl ester: ACTIVE
응용 분야 · 2건

용도Isopropyl nitrate is used as a diesel cetane improver.

일반 설명A clear colorless liquid with a pleasant odor. Flash point 32 to 73°F. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

상·하류 제품 정보

상류 원료

요소질산이소프로필알코올

공급사70 곳

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海比阳实业有限公司+86-21-52699951; +8613917686115 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

관련 반응

35건
반응 기록 만들기
HRID 52461 반응식
HRID 52461반응물로uspto-grants-1997_04
HRID 52564 반응식
HRID 52564반응물로uspto-grants-1997_04
HRID 362230 반응식
HRID 362230반응물로uspto-grants-1999_02
HRID 362231 반응식
HRID 362231반응물로uspto-grants-1999_02
HRID 362234 반응식
HRID 362234반응물로uspto-grants-1999_02
HRID 362237 반응식
HRID 362237반응물로uspto-grants-1999_02
HRID 362239 반응식
HRID 362239반응물로uspto-grants-1999_02
HRID 375513 반응식
HRID 375513반응물로uspto-grants-1996_01
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
216-983-6
Nikkaji
J572J
인화점
55 °F · 55 °F
물리적 상태
액체
수용성
물에 부분적으로 섞임.
BRN
1701405 · 1701405
Henry's Law Constant
7.8 · 7.8×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Dielectric constant
11.5 · 11.5(19℃)
안정성
안정성 가연성이 높습니다. 강한 환원제, 강산, 미세 분말 금속, 염화주석, 삼불화붕소와 혼합할 수 없습니다.
InChI
1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
InChIKey
GAPFWGOSHOCNBM-UHFFFAOYSA-N
SMILES
CC(C)O[N+]([O-])=O
LogP
1.66 · 1.66
NIST
1 · Nitric acid, 1-methylethyl ester(1712-64-7)
EPA
1 · Nitric acid, 1-methylethyl ester (1712-64-7)

화학적 성질

colourless liquid

Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

Organonitrates, such as ISOPROPYL NITRATE, 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. Contact with either strong oxidizers or with combustibles may cause fires and explosions.

DOT Hazard Classification · 4건

Isopropyl nitrate

UN1222

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories · 2건

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 3rd degree

안전 및 보호

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2건

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3건

25 [mg/m3]

170 [mg/m3]

1000 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Toxicity DataLC50 (rat) = 29,000 mg/m3/2hr

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
QU8930000
ridadr
UN 1222
risk_code
5-8-11-20
hazard_code
O,F,Xn,Xi
safety_code
16-17-33-7/9
포장분류
II
위험 등급
3
기존화학 물질
2001-3-1767
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
3 - Flammable liquids
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