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イソシアン酸イソプロピル

Isopropyl isocyanate

HCID 61277
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1795-48-8
標準SMILES
CC(C)N=C=O
InChIKey
GSLTVFIVJMCNBH-UHFFFAOYSA-N
分子式
C4H7NO
平均分子量
85.1 g/mol
単同位体質量
85.05276385

概要

Isopropyl isocyanate appears as a colorless liquid with a pungent odor. Insoluble in water. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.

名称と識別子

優先名称
Isopropyl isocyanate
IUPAC
2-isocyanatopropane
現地名
イソシアン酸イソプロピル
英語名
Isopropyl isocyanate
分子式
C4H7NO
分子量
85.1

名称と別名

Isopropyl isocyanate2-Isocyanatopropane1795-48-8Propane, 2-isocyanato-Isocyanic acid, isopropyl ester1-methylethyl isocyanaten-isopropyl isocyanateEINECS 217-276-5UN2483AI3-28282DTXSID3061976Propane, 2isocyanato
名称をさらに表示
イソシアン酸イソプロピル(1-メチルエチル)イソシアナートイソプロピルイソシアナート2-イソシアナトプロパンイソプロピルイソシアネートi-picIsopropylisocyanat2-isocyanato-propansopropyl isocyaneteIsorpopyl IsocyanatePropane,2-isocyanato-IsopropylIsocyanate>
RefChem:792176DTXCID9035701217-276-5isopropylisocynateisoproylisocyanate2-propylisocyanatei-propyl isocyanateiso-propyl-isocyanat

データベース識別子

CAS
1795-48-8
PubChem CID
61277
DTXSID
DTXSID3061976
UNII
K7N2Z27VQ9
EC Number
217-276-5
Nikkaji
J68.772C

物性

構造計算による物性

XLogP
1.8
極性表面積
29.4 Ų
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
1
重原子数
6
形式電荷
0
複雑度
71.6

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 Properties15N nuclear magnetic resonance spectrum
Physical Description · 2 件

Isopropyl isocyanate appears as a colorless liquid with a pungent odor. Insoluble in water. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.

Colorless liquid with a pungent odor; [CAMEO]

物理化学的性質

融点
-75 ℃ · <-75℃
沸点
75 °C · 75 °C
比重(密度)
0.87 · 0.87
屈折率
1.38 · 1.38
闪点
-3 °C · -3 °C
貯蔵温度
2 · 2-8°C
溶解性
クロロホルム（可溶性）、酢酸エチル
外見
clear liquid
色
Colorless to Light yellow
水溶解度
不溶性
BRN
969356 · 969356
安定性
吸湿性、光に敏感、湿気に敏感、揮発性

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

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

P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P335+P334, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P402+P404, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 198 reports by companies from 14 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 Information · 2 件

REACH registered substance: Isopropyl isocyanate (EC: 217-276-5)

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 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 SummaryVery toxic by ingestion or inhalation; Highly flammable; [CAMEO] A lachrymator; [CHEMINFO] See Methyl isocyanate. See MONOISOCYANATES.

化学と産業

用途と製造

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationPropane, 2-isocyanato-: ACTIVE
応用分野 · 2 件

使用Isopropyl isocyanate is used as a reagent in the preparation of androgen receptor antagonist for prostate cancer treatment. It is also used in the synthesis of selective dual inhibitor of mammalian target of rapamycin (mTORC1 and mTORC2). Further, it serves as a reagent in the synthesis of O-aryl N-isopropylcarbamates. In addition to this, it is used as a derivatization reagent during the stereoisomeric analysis of secondary alcohols.

一般的な説明A colorless liquid with a pungent odor. Insoluble in water. Flash point near 60°F. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.

上流・下流製品情報

下流製品

イソシアン酸 プロピル3-(3,5-ジクロロフェニル)-N-イソプロピル-2,4-ジオキソ-1-イミダゾリジンカルボアミドN-イソプロピルアセトアミドN-イソプロピルモルホリン-4-カルボアミド

関連反応

614 件
反応記録を作成
HRID 3461 の反応式
HRID 3461反応物としてuspto-grants-1998_03
HRID 3795 の反応式
HRID 3795反応物としてuspto-grants-1988_02
HRID 4480 の反応式
HRID 4480反応物としてuspto-grants-1988_02
HRID 4611 の反応式
HRID 4611反応物としてuspto-grants-1988_02
HRID 4620 の反応式
HRID 4620反応物としてuspto-grants-1988_02
HRID 9437 の反応式
HRID 9437反応物としてuspto-grants-2006_08
HRID 9440 の反応式
HRID 9440反応物としてuspto-grants-2006_08
HRID 9505 の反応式
HRID 9505反応物としてuspto-grants-2006_08
1 / 77 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
CAS データベース
1795 · 1795-48-8(CAS DataBase Reference)
EPAの化学物質情報
2 · Propane, 2-isocyanato- (1795-48-8)

化学的性質

化学的特性Colorless liquid

DOT ID and Guide2483 155P
Reactive GroupIsocyanates and Isothiocyanates
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

Isocyanates and thioisocyanates, such as ISOPROPYL ISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

DOT Hazard Classification · 6 件

Isopropyl isocyanate

UN2483

Div 6.1 Poisonous materials (49 eCFR § 173.132)

Div 6.1 Poisonous materials (49 eCFR § 173.132)

PG I: the degree of danger presented by the material is great

Symbol +: Fixes the proper shipping name, hazard class and packing group for that entry

Air and Water ReactionsHighly flammable. Insoluble in water.

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:

Small spill:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
Acute Exposure Guideline Levels (AEGLs)The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values.
AEGLs NotesAEGLs Status: Holding

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

安全データ

F
10-21
wgk
1
tsca
TSCA listed
ridadr
UN 2483
hs_code
2929109000
risk_code
11-26-36/37/38-42
消防法
危-4-1-II
hazard_code
F,T+,Xi
safety_code
16-23-26-36/37/39-45
hazard_class
6.1
packing_group
I
危険度評価（NFPA 704基準/消防庁データ）
火災[赤]=4