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メトキシメチルイソシアナート

Methoxymethyl isocyanate

HCID 62609
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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
部分構造検索類似構造を探す

基本情報

CAS
6427-21-0
標準SMILES
COCN=C=O
InChIKey
HTVHSOYSKFBUGY-UHFFFAOYSA-N
分子式
C3H5NO2
平均分子量
87.08 g/mol
単同位体質量
87.0320284

概要

Methoxymethyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by inhalation and skin absorption. Vapors are heavier than air.

名称と識別子

優先名称
Methoxymethyl isocyanate
IUPAC
isocyanato(methoxy)methane
現地名
メトキシメチルイソシアナート
英語名
Isocyanato(methoxy)methane
分子式
C3H5NO2
分子量
87.08

名称と別名

Methoxymethyl isocyanate6427-21-0Methane, isocyanatomethoxy-Isocyanic acid, methoxymethyl esterEINECS 229-197-3UN2605DTXSID6074839RefChem:811816Methane, isocyanatomethoxyDTXCID2044262ISOCYANATOMETHYL METHYL ETHER229-197-3
名称をさらに表示
メトキシメチルイソシアナートイソシアナト(メトキシ)メタンIsocyanic acid methoxy methyl ester
isocyanato(methoxy)methaneIsocyanatomethoxymethaneMethane,isocyanatomethoxy-methoxymethylisocyanatmethoxymethylisocyanate5SQ7JG26JKSCHEMBL891872AKOS000177661

データベース識別子

CAS
6427-21-0
PubChem CID
62609
DTXSID
DTXSID6074839
UNII
5SQ7JG26JK
EC Number
229-197-3
Nikkaji
J68.773A

物性

構造計算による物性

XLogP
0.9
極性表面積
38.7 Ų
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
2
重原子数
6
形式電荷
0
複雑度
65.2

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

Physical Description · 2 件

Methoxymethyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by inhalation and skin absorption. Vapors are heavier than air.

Colorless liquid with a pungent odor; [CAMEO]

物理化学的性質

沸点
87.5 °C · 87.5 °C
比重(密度)
0.99 · 0.99±0.1 g/cm3(Predicted)
EPAの化学物質情報
Methoxymethyl isocyanate (6427-21-0)

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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.

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)]:

· 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)]:

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

Hazards SummaryHighly toxic by inhalation and skin absorption; [CAMEO] See Ethyl isocyanate.
DOT ID and Guide2605 155
Reactive GroupEthers
Reactivity AlertsHighly Flammable

化学と産業

用途と製造

UsesToxic Gas from Spilling Chemical in Water [Category: Other]

応用分野

一般的な説明A colorless liquid with a pungent odor. Flash point near 50°F. Very toxic by inhalation and skin absorption. Vapors are heavier than air.

上流・下流製品情報

上流原料

メトキシアセチルクロリドアジ化ナトリウムm-キシレン

関連反応

19 件
反応記録を作成
HRID 27795 の反応式
HRID 27795反応物としてuspto-grants-1980_09
HRID 27796 の反応式
HRID 27796反応物としてuspto-grants-1980_09
HRID 27797 の反応式
HRID 27797反応物としてuspto-grants-1980_09
HRID 27798 の反応式
HRID 27798反応物としてuspto-grants-1980_09
HRID 262044 の反応式
HRID 262044反応物としてuspto-grants-1979_05
HRID 262045 の反応式
HRID 262045反応物としてuspto-grants-1979_05
HRID 262046 の反応式
HRID 262046反応物としてuspto-grants-1979_05
HRID 262047 の反応式
HRID 262047反応物としてuspto-grants-1979_05
1 / 3 ページ

化合物ノート

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Reactivity Profile · 1 件

Isocyanates and thioisocyanates, such as METHOXYMETHYL 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

Methoxymethyl isocyanate

UN2605

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. Soluble in water.

安全と保護具

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

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)]:
Isolation and Evacuation · 4 件

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

Immediate precautionary measure

Small spill:

Small spill:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
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

ridadr
UN 2605
risk_code
43
safety_code
36/37
hazard_class
6.1
packing_group
I