基本情報
- CAS
4158-37-6- 標準SMILES
CCC(Cl)C#N- InChIKey
WTDNWEITCUMXGW-UHFFFAOYSA-N- 分子式
- C4H6ClN
- 平均分子量
- 103.55 g/mol
- 単同位体質量
- 103.0188769
概要
Chlorobutyronitrile appears as a liquid. Practically insoluble in water (2 parts/100 parts water). Sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.
名称と識別子
- 優先名称
- 2-Chlorobutyronitrile
- IUPAC
- 2-chlorobutanenitrile
- 現地名
- 2-クロロブタンニトリル
- 英語名
- 2-chlorobutyronitrile
- 分子式
- C4H6ClN
- 分子量
- 103.55
名称と別名
2-chlorobutanenitrile2-Chlorobutyronitrile4158-37-6chlorobutyronitrileEINECS 223-991-3DTXSID001035179NSC 373957RefChem:470399DTXCID601519622223-991-3Butanenitrile, 2-chloro-2-chlorbutyronitrile
名称をさらに表示
2-クロロブタンニトリル2-クロロブチロニトリル
NSC373957SCHEMBL948116SCHEMBL7664681SCHEMBL11655165AKOS010963581NSC-373957CS-0251795NS00049756
データベース識別子
- CAS
4158-37-6、628-20-6- PubChem CID
- 100204
- DTXSID
DTXSID001035179- EC Number
- 223-991-3
- Nikkaji
- J224.957J
物性
構造計算による物性
- XLogP
- 1.5
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 70.9
実験および物理化学的性質
Density1.22 at 68 °F (USCG, 1999) - Denser than water; will sink
Boiling Point374 °F at 760 mmHg (USCG, 1999)
Physical Description
Chlorobutyronitrile appears as a liquid. Practically insoluble in water (2 parts/100 parts water). Sinks in water. Vapors are heavier than air. Irritates the eyes but not to the skin. Releases hydrogen chloride, hydrogen cyanide, and hydrogen bromide gases when heated or involved in a fire.
物理化学的性質
- 沸点
- 144 · 144-146 °C
- 比重(密度)
- 1.038 · 1.038±0.06 g/cm3(Predicted)
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, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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. Each notification may be associated with multiple companies.
危険有害性情報
DOT LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Toxic and irritating hydrogen cyanide, hydrogen bromide, and hydrogen chloride may form in fires. (USCG, 1999)
Health Hazards
Chemical is moderately toxic. Inhalation causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes causes irritation. Can penetrate the skin on prolonged contact; only slightly irritating. (USCG, 1999)
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity ProfileCHLOROBUTYRONITRILE may attack some forms of plastics (USCG, 1999).
Air and Water ReactionsHighly flammable. Practically insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
安全と保護具
Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
First AidINHALATION: move victim to fresh air; administer artificial respiration if required; call a doctor.
Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Personal Protective Equipment (PPE)Air supply mask or self-contained breathing apparatus for repeated handling large amounts; rubber gloves; safety goggles (USCG, 1999)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H226
化学と産業
サプライヤー5 社
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
舟山广兴化学有限公司15698059122 15698059122 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
関連反応
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