Butyl nitrite (HCID 10996)

概要

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.

名称と識別子

優先名称: Butyl nitrite
IUPAC: butyl nitrite
現地名: 亜硝酸ブチル
英語名: 1-Butyl nitrite
分子式: C4H9NO2
分子量: 103.12

名称と別名

Butyl nitrite544-16-1N-BUTYL NITRITENitrous acid, butyl ester44P8QG0F3TNSC-8426RefChem:829371208-862-11-Butyl nitriteNitrous Acid Butyl EsterNitrous acid, n-butyl esterN-Butylnitrite

名称をさらに表示

亜硝酸ブチルニトリロニオブ(III)n-ブチルニトライト窒化ニオブ亜硝酸(3-メチルプロピル)n-ブチルニトリト亜硝酸ｎ－ブチル硝酸ｎブチルP95AT-V1AT-V2NCL-C-56553N-Butynitrite

ButylnitriteNCI-C56553NSC 8426DTXSID8049418n-C4H9ONOMFCD00002058Butyl ester of nitrous acidNBN

データベース識別子

CAS: 544-16-1
PubChem CID: 10996
DTXSID: DTXSID8049418
ChEMBL: CHEMBL3181968
ChEBI: CHEBI:173360
UNII: 44P8QG0F3T
EC Number: 208-862-1
Nikkaji: J4.511J

物性

構造計算による物性

XLogP: 1.3
極性表面積: 38.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 47

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Nitrates and Nitrites

Flammable agents - 3rd degree

Vapor Pressure81.3 [mmHg]

Physical Description · 2 件

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]

物理化学的性質

沸点: 78 °C · 78 °C (lit.)
比重(密度): 0.882 g/mL · 0.882 g/mL at 25 °C (lit.)
蒸気圧: 760 mm · 760 mm Hg ( 78 °C)
屈折率: 20 · n20/D 1.376(lit.)
闪点: 8 °F · 8 °F
貯蔵温度: 2 · 2-8°C
溶解性: アルコール：混和性（点灯）
外見: clear liquid
色: Light yellow to Yellow
水溶解度: わずかに溶ける
Merck: 14 · 14,1582
BRN: 1701036 · 1701036
安定性: Light Sensitive, Volatile
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
CAS データベース: 544 · 544-16-1(CAS DataBase Reference)
NISTの化学物質情報: n-Butyl nitrite(544-16-1)
EPAの化学物質情報: Butyl nitrite (544-16-1)

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 3 件

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]

安全と保護具

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)]:

毒性情報

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

Toxicity DataLC50 (rat) = 420 ppm/4h

安全データ

F: 8-10-23
wgk: 1
tsca: TSCA listed
rtecs: RA0780000
ridadr: UN 2351 3/PG II/III (BUTYL NITRITES)
毒性: LD50 orally in Rabbit: 83 mg/kg
hs_code: 29209090
risk_code: 11-23/25
化審法: (2)-1565
消防法: 危-4-1-II
hazard_code: F,T
safety_code: 16-24-45
hazard_class: 3.1
packing_group: II
毒劇物取締法: 毒物
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralFlam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

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

Cellular LocationsCytoplasm

用途と製造

UsesUsed to make rare earth azides; [Merck Index]

General Manufacturing InformationNitrous acid, butyl ester: ACTIVE

応用分野 · 2 件

用途希土類アジド化合物の合成、肉類の保存剤、ペプチド合成試薬、ニトロ化試薬、MAS分析時のイオン化剤I

一般的な説明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. Flash point about 15°F. Toxic by ingestion, mildly toxic by inhalation. Used to make fuel for jet airplanes.