基本情報
- 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
名称をさらに表示
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
Toxic Gases & Vapors -> Monoisocyanates
Flammable agents - 3rd degree
Physical Description
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
GHS分類
GHS Classification
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
Fire Hazards
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
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.
Reactivity Profile
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
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
安全と保護具
Accidental Release Measures
· 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
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection
· 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].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
Small spill:
Small spill:
毒性情報
安全データ
- ridadr
- UN 2605
- risk_code
- 43
- safety_code
- 36/37
- hazard_class
- 6.1
- packing_group
- I
化学と産業
用途と製造
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
サプライヤー4 社
関連反応
関連ノート
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