(E)-2-メチル-2-ブテンニトリル

(E)-2-Methyl-2-butenenitrile

HCID 5355732

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 30574-97-1
標準SMILES: C/C=C(\C)C#N
InChIKey: IHXNSHZBFXGOJM-HWKANZROSA-N
分子式: C5H7N
平均分子量: 81.12 g/mol
単同位体質量: 81.05784922

名称と識別子

優先名称: (E)-2-Methyl-2-butenenitrile
IUPAC: (E)-2-methylbut-2-enenitrile
現地名: (E)-2-メチル-2-ブテンニトリル
英語名: (E)-2-methyl-2-butenenitrile
分子式: C5H7N
分子量: 81.12

名称と別名

2-methylbut-2-enenitrile(E)-2-Methyl-2-butenenitrile30574-97-1(E)-2-methylbut-2-enenitrileTiglonitriletrans-2-Methyl-2-butenenitrile(2E)-2-methylbut-2-enenitrile2-Butenenitrile, 2-methyl-, (E)-2-Butenenitrile, 2-methyl-, (2E)-alpha-Methylcrotononitrile768X49F7XE1-Methyl-1-propenyl Cyanide

名称をさらに表示

(E)-2-メチル-2-ブテンニトリルtrans-2-メチル-2-ブテノニトリルチグロニトリル(E)-2-メチルクロトノニトリルツブロニトリル(2E)-2-メチル-2-ブテンニトリルTiglonitryle

2-Cyano-2-buteneMFCD00037169TUBULONITRILEtrans-2-methyl-2-butenonitrile(2E)-2-Methyl-2-butenenitrileNSC44233EINECS 250-247-5(E)-2-methyl-crotononitrile

データベース識別子

CAS: 30574-97-1、4403-61-6
PubChem CID: 5355732
DTXSID: DTXSID7027964
UNII: 768X49F7XE
EC Number: 250-247-5
Nikkaji: J205.784K、J287.367B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 23.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 102

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

安定性: 安定。可燃性。強力な酸化剤とは相容れない。
EPAの化学物質情報: -2 · trans-2-Methyl-2-butenenitrile (30574-97-1)

安全と法規制

危険有害性情報

Regulatory InformationChemical: 2-Butenenitrile, 2-methyl-, (E)-

DOT LabelFlammable Liquid Poison

Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)

Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Reactive GroupNitriles

Reactivity AlertsHighly Flammable

安全と保護具

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)