(Z)-2-メチル-2-ブテンニトリル

cis-2-Methyl-2-butenenitrile

HCID 6028739

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基本情報

CAS: 20068-02-4
標準SMILES: C/C=C(/C)C#N
InChIKey: IHXNSHZBFXGOJM-HYXAFXHYSA-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: cis-2-Methyl-2-butenenitrile
IUPAC: (Z)-2-methylbut-2-enenitrile
現地名: (Z)-2-メチル-2-ブテンニトリル
英語名: (Z)-2-methyl-2-butenenitrile
分子式: C5H7N
分子量: 81.12

名称と別名

AngeliconitrileAngelic acid nitrilecis-2-Methyl-2-butenenitrilecis-2-Methyl-2-butenonitrileangelonitrile2-Butenenitrile, 2-methyl-, (Z)-2-Methyl-cis-2-butenenitrile20068-02-42-Butenenitrile, 2-methyl-, (2Z)-Crotononitrile, 2-methyl-, (Z)-HSDB 6156RKI9CB99KR

名称をさらに表示

(2Z)-2-メチル-2-ブテンニトリルcis-2-メチル-2-ブテノニトリル(Z)-2-メチル-2-ブテンニトリルアンゲリコニトリルアンゲロニトリル(Z)-2-methyl-2-butenenitrile

EINECS 243-496-6DTXSID5027807HSDB-6156METHYL-2-BUTENENITRILE, (2Z)-(2Z)-2-Methyl-2-butenenitrile2Methylcis2butenenitrilecis2Methyl2butenonitrileRefChem:577315

データベース識別子

CAS: 20068-02-4
PubChem CID: 6028739
DTXSID: DTXSID5027807
ChEMBL: CHEMBL1884429
UNII: RKI9CB99KR
EC Number: 243-496-6
Nikkaji: J280.434D

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

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesBoiling point

物理化学的性質

沸点: 121 · 121-122 °C(Press: 772 Torr)
比重(密度): 0.81968 g/cm3 · 0.81968 g/cm3
EPAの化学物質情報: -2 · cis-2-Methyl-2-butenenitrile (20068-02-4)

安全と法規制

危険有害性情報

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

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

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]:

Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.

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)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

tsca: TSCA listed
有毒物質データの: 20068-02-4(Hazardous Substances Data)

化学と産業

薬理情報

Absorption, Distribution and ExcretionMay be absorbed orally, dermally and by inhalation.

用途と製造

Uses · 4 件

Used as chemical intermediate for cis-2-Methyl-2-butenoic acid and possibly for polymers and copolymers; Also used as a solvent; [HSDB]

CHEM INT, EG, FOR CIS-2-METHYL-2-BUTENOIC ACID

CHEM INT FOR POLYMERS & COPOLYMERS (POSSIBLE USE)

SOLVENT (POSSIBLE USE)

Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-BUTENE WITH AMMONIA; ISOLATION AS A BY-PRODUCT OF ADIPONITRILE PRODN FROM BUTADIENE & HYDROGEN CYANIDE.

General Manufacturing Information2-Butenenitrile, 2-methyl-, (2Z)-: INACTIVE