基本情報
- 標準SMILES
O=C(Cl)OCCl- InChIKey
JYWJULGYGOLCGW-UHFFFAOYSA-N- 分子式
- C2H2Cl2O2
- 平均分子量
- 128.94 g/mol
- 単同位体質量
- 127.94318466
概要
Chloromethyl chloroformate appears as a colorless liquid with a penetrating, irritating odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
名称と識別子
- 優先名称
- Chloromethyl chloroformate
- IUPAC
- chloromethyl carbonochloridate
- 現地名
- クロロぎ酸クロロメチル
- 英語名
- Chloromethyl chloroformate
- 分子式
- C2H2Cl2O2
- 分子量
- 128.94
名称と別名
名称をさらに表示
データベース識別子
- CAS
22128-62-7- PubChem CID
- 62754
- DTXSID
DTXSID9074567- UNII
- V6LT723843
- EC Number
- 244-793-3
- Nikkaji
- J26.283H
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 26.3 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
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 53.5
実験および物理化学的性質
Physical Description
Chloromethyl chloroformate appears as a colorless liquid with a penetrating, irritating odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
物理化学的性質
- 融点
- -20 °C · <-20°C
- 沸点
- 107 · 107-108 °C(lit.)
- 比重(密度)
- 1.449 g/mL · 1.449 g/mL at 20 °C
- 屈折率
- 20 · n20/D 1.428
- 闪点
- 95 °C · 95°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Soluble), Methanol (Slightly)
- 外見
- clear liquid
- 色
- Colorless to Light yellow to Light orange
- 水溶解度
- 水とわずかに混和する。
- BRN
- 506426 · 506426
- 安定性
- Extremely Moisture Sensitive, Hygroscopic
- InChI
- 1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2
- InChIKey
- JYWJULGYGOLCGW-UHFFFAOYSA-N
- SMILES
- ClCOC(Cl)=O
- CAS データベース
- 22128 · 22128-62-7(CAS DataBase Reference)
- EPAの化学物質情報
- Carbonochloridic acid, chloromethyl ester (22128-62-7)
化学的性質
化学的特性Chloromethyl chloroformate is Clear Colourless Oil
安全と法規制
GHS分類
GHS Classification
Danger
H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire Hazards
Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Health Hazards
Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / 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
CHLOROMETHYL CHLOROFORMATE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Chloromethyl chloroformate
UN2745
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Acute Tox. 4 (11.8%)
Corrosives, Reactive agents - 1st degree
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 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Immediate precautionary measure
安全データ
- F
- 10-19-21
- wgk
- 3
- ridadr
- UN 2745
- hs_code
- 2915.90.5050
- risk_code
- 23-34
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 3 InhalationSkin Corr. 1B
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
応用分野
使用Chloromethyl chloroformate is used as a reagent in the synthesis of carbamates and carbonates.
一般的な説明Chloromethyl chloroformate is a colorless liquid with a penetrating, irritating odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
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