基本情報
- CAS
31551-28-7- 標準SMILES
CC/C=C(\C)C#N- InChIKey
MLPZAALXVQOBFB-GQCTYLIASA-N- 分子式
- C6H9N
- 平均分子量
- 95.14 g/mol
- 単同位体質量
- 95.07349929
名称と識別子
- 優先名称
- cis-2-Methyl-2-pentenenitrile
- IUPAC
- (E)-2-methylpent-2-enenitrile
- 現地名
- (E)-2-メチル-2-ペンテンニトリル
- 英語名
- (E)-2-methylpent-2-enenitrile
- 分子式
- C6H9N
- 分子量
- 95.14
名称と別名
(E)-2-Methylpent-2-enenitrile2-Pentenenitrile, 2-methyl-, (2E)-31551-28-7(E)-2-Methyl-2-pentenenitrileU4SHU6UFHXHSDB 61632-Pentenenitrile, 2-methyl-, (E)-CIS-2-METHYL-2-PENTENENITRILE(2E)-2-methyl-2-pentenenitrileEINECS 250-694-62-Pentenenitrile, 2-methyl, (E)-trans-alpha-Methyl-beta-ethylacrylonitrile
名称をさらに表示
(E)-2-メチル-2-ペンテンニトリル(2E)-2-メチル-2-ペンテンニトリル
DTXSID90885505(2E)-2-CYANOPENT-2-ENE2-METHYL-2-PENTENENITRILE, (E)-2-METHYL-2-PENTENENITRILE, (2E)-(E)-2-METHYL-2-PENTENENITRILE [HSDB]TRANS-.ALPHA.-METHYL-.BETA.-ETHYLACRYLONITRILERefChem:577316(E)2Methyl2pentenenitrile
データベース識別子
- CAS
31551-28-7- PubChem CID
- 5352201
- DTXSID
DTXSID90885505- UNII
- U4SHU6UFHX
- EC Number
- 250-694-6
- Nikkaji
- J278.142E
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 23.8 Ų
- 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
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 113
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Nitriles
LogPlog Kow= 0.4
Color/FormLiquid
Boiling Point153 °C.
Vapor Pressure4.0 [mmHg]
Physical DescriptionLiquid; [HSDB]
物理化学的性質
- 沸点
- 153 °C · 153 °C
- 比重(密度)
- 0.82802 g/cm3 · 0.82802 g/cm3
- EPAの化学物質情報
- 2 · 2-Pentenenitrile, 2-methyl-, (2E)- (31551-28-7)
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2-Pentenenitrile, 2-methyl-, (E)-
REACH registered substance: (E)-2-methylpent-2-enenitrile (EC: 250-694-6)
Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.
Special Reports
ITC/USEPA; Information Review #332B (Draft) Alkenenitriles (1983)
Kaplita PV and Smith RP; Toxicol Appl Pharmacol 84 (3): 533-540 (1986). Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Flammable LimitsExtremely flammable liquid /cis-2-methyl-2-butenenitrile/
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Hazardous Reactivities and IncompatibilitiesIncompatible with strong alkalies /cis-2-methyl-butenenitrile/.
毒性情報
Environmental FateAQUATIC FATE: This compound is expected to partition to air and water where degradation by hydroxyl radical oxidation, hydrolysis and biodegradation would result.
化学と産業
薬理情報
Metabolism/MetabolitesCis-2 methyl-2-pentenenitrile ... as /an/ alkyl-substituted methacrylonitrile, may release cyanide following absorption.
用途と製造
Uses
No known commercial use in the US; [HSDB]
NO EVIDENCE OF COMMERCIAL USE IN USA
U.S. Production
Approximately 3,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN USA
(1981) NOT PRODUCED COMMERCIALLY IN USA
Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-PENTENE WITH AMMONIA
General Manufacturing Information2-Pentenenitrile, 2-methyl-, (2E)-: INACTIVE
サプライヤー1 社
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