基本情報
- CAS
1001-55-4- 標準SMILES
CC(=O)OCC#N- InChIKey
AJEHNBIPLQJTNU-UHFFFAOYSA-N- 分子式
- C4H5NO2
- 平均分子量
- 99.09 g/mol
- 単同位体質量
- 99.0320284
名称と識別子
- 優先名称
- (Acetyloxy)acetonitrile
- IUPAC
- cyanomethyl acetate
- 現地名
- 酢酸シアノメチル
- 英語名
- Acetic acid cyanomethyl ester
- 分子式
- C4H5NO2
- 分子量
- 99.09
名称と別名
Cyanomethyl acetate1001-55-4Acetic acid cyanomethyl esterAcetoxyacetonitrilecyanomethylacetate(ACETYLOXY)ACETONITRILE2-AcetoxyacetonitrileGlycolonitrile, acetateAcetyloxyacetonitrileGlycolonitrile, acetate (ester)Acetonitrile, (acetyloxy)-HSDB 2124
名称をさらに表示
酢酸シアノメチルシアノメチル アセタートAcetonitrile, 2-(acetyloxy)-
VM1DZ0X2D6NSC 71942Kyanmethylester kyseliny octoveKyanmethylester kyseliny octove [Czech]BRN 1745113NSC-71942ACETOXYMETHYL CYANIDEDTXSID00142939
データベース識別子
- CAS
1001-55-4- PubChem CID
- 13843
- DTXSID
DTXSID00142939- UNII
- VM1DZ0X2D6
- EC Number
- 872-138-7
- Nikkaji
- J35.141E
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 50.1 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
- 7
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitriles
Vapor Pressure0.36 [mmHg]
物理化学的性質
- 融点
- -22.4 °C · -22.4°C
- 沸点
- 185.54 °C · 185.54°C (rough estimate)
- 比重(密度)
- 1.123 · 1.1230
- 屈折率
- 1.4166 · 1.4166 (estimate)
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazards SummaryHighly toxic by all routes; Emergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
安全と保護具
Personal Protective Equipment (PPE)WHILE THERE ARE NO REPORTS OF INJURY TO HUMANS HANDLING THE MATERIAL, CARE SHOULD BE USED TO AVOID SKIN CONTACT AND INHALATION OF VAPOR, ESPECIALLY HEATED VAPOR. /METHYL CYANOACETATE/
毒性情報
Adverse EffectsOther Poison - Chemical Asphyxiant
Human Toxicity ExcerptsIT IS ABSORBED THROUGH THE SKIN, & IF NOT IMMEDIATELY REMOVED, MAY HAVE FATAL CONSEQUENCES. /GLYCOLONITRILE/
Non-Human Toxicity Excerpts
SOME TOXIC EFFECTS FOLLOWING SKIN CONTACT WERE NOTED /IN GUINEA PIGS/... /METHYL CYANOACETATE/
CYANOMETHYL ACETATE RATED 5 ON RABBIT EYES /ON A SCALE 1-10 ACCORDING TO DEGREE OF INJURY OBSERVED AFTER 24 HR, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURY= 10/.
化学と産業
用途と製造
Uses
Used as an intermediate in the production of pharmaceuticals and as a component of synthetic resins; [HSDB]
MFR INTERMEDIATES IN PRODN OF PHARMACEUTICALS & AS COMPONENT OF SYNTHETIC RESINS /GLYCOLONITRILE/
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
上流・下流製品情報
下流製品
サプライヤー1 社
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
関連反応
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化合物ノート
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