Propyl isocyanate (HCID 61033)

概要

N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.

名称と識別子

優先名称: Propyl isocyanate
IUPAC: 1-isocyanatopropane
現地名: イソシアン酸プロピル
英語名: Propyl isocyanate
分子式: C4H7NO
分子量: 85.1

名称と別名

Propyl isocyanate1-Isocyanatopropanen-Propyl isocyanatePROPANE, 1-ISOCYANATO-m-Propyl isocyanateEINECS 203-803-6EW62LG5TQ7NSC 89688UN2482AI3-28281NSC-89688Isocyanic acid n-propyl ester

名称をさらに表示

イソシアン酸プロピルプロピルイソシアナートイソシアン酸プロピルイソシアン酸ｎ－プロピルイソシアン酸ｎプロピル1-イソシアナトプロパンIsocyanatopropanen-picWLN: OCN3Desmodur RNPropyl carbimideN-PROPYLCARBIMIDEn-Propylisocyanat

DTXSID5051571OQURWGJAWSLGQG-UHFFFAOYSA-UN 24821IsocyanatopropanemPropyl isocyanate1Propyl isocyanatePropane, 1isocyanatoRefChem:176498

データベース識別子

CAS: 110-78-1
PubChem CID: 61033
DTXSID: DTXSID5051571
ChEMBL: CHEMBL441027
UNII: EW62LG5TQ7
EC Number: 203-803-6
Nikkaji: J36.792C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 63.9

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation

Physical Description · 2 件

N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.

Colorless liquid with pungent odor; [CAMEO]

物理化学的性質

融点: -30 °C · -30 °C
沸点: 83 · 83-84 °C(lit.)
比重(密度): 0.908 g/mL · 0.908 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.394(lit.)
闪点: 32 °F · 32 °F
貯蔵温度: Flammables area
外見: 液体
色: クリアイエロー
水溶解度: 激しく反応する
BRN: 1098489 · 1098489
InChI: InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey: OQURWGJAWSLGQG-UHFFFAOYSA-N
SMILES: C(N=C=O)CC
CAS データベース: 110 · 110-78-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1-isocyanato-(110-78-1)
EPAの化学物質情報: 1 · Propane, 1-isocyanato- (110-78-1)

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory InformationThe 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 LabelPoison Inhalation Hazard Flammable Liquid

Fire Hazards · 2 件

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

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

Health Hazards · 2 件

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards SummaryHighly flammable; May cause burns and death; Reacts with water to slowly produce cyanide vapor; Corrosive gases and flammable hydrogen may be released; [CAMEO]

安全と保護具

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection · 2 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Isolation and Evacuation · 4 件

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Immediate precautionary measure

Small spill:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 19
wgk: 1
tsca: TSCA listed
rtecs: NR0190000
ridadr: UN 2482
hs_code: 29291090
risk_code: 11-20/21/22-37/38-41-42/43-42-34-26-22-14
化審法: (9)-176
消防法: 危-4-1-II
hazard_code: F,Xn,T+
safety_code: 23-26-36/37/39-45-38-16
hazard_class: 6.1
packing_group: I
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed to make other chemicals; [CAMEO]

General Manufacturing InformationPropane, 1-isocyanato-: ACTIVE

応用分野

一般的な説明A colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Flash point 30°F. Used to make other chemicals.