2-クロロベンジルアミン
2-Chlorobenzylamine
基本情報
- CAS
89-97-4- 標準SMILES
NCc1ccccc1Cl- InChIKey
KDDNKZCVYQDGKE-UHFFFAOYSA-N- 分子式
- C7H8ClN
- 平均分子量
- 141.6 g/mol
- 単同位体質量
- 141.034527
概要
2-chlorobenzylamine appears as a colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
名称と識別子
- 優先名称
- 2-Chlorobenzylamine
- IUPAC
- (2-chlorophenyl)methanamine
- 現地名
- 2-クロロベンジルアミン
- 英語名
- 2-Chlorobenzylamine
- 分子式
- C7H8ClN
- 分子量
- 141.6
名称と別名
2-Chlorobenzylamineo-ChlorobenzylamineBenzenemethanamine, 2-chloro-Benzylamine, o-chloro-2-Chlorobenzenemethanamine(2-chlorophenyl)methylamineUNII-L790J4Y7A3L790J4Y7A3EINECS 201-955-8NSC 60118NSC-60118DTXSID3059002
名称をさらに表示
2-クロロベンジルアミンo-クロロベンジルアミン2-クロロベンゼンメタンアミン2クロロベンジルアミン2‐クロロベンジルアミン1-クロロ-2-(アミノメチル)ベンゼン1-(2-クロロフェニル)メタンアミン(2-Chlorophenyl)methanamineOCAMNCAM21MGC51008HGNC:7657JACS-89-97-4O-benzylaMineChlorobenzylaMineAKOS BBS-00003608
EC 201-955-8TICLOPIDINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)TICLOPIDINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]RefChem:86460Benzylamine, o-chloro-(8CI)DTXCID6048672201-955-8KDDNKZCVYQDGKE-UHFFFAOYSA-N
データベース識別子
- CAS
89-97-4- PubChem CID
- 66648
- DTXSID
DTXSID3059002- ChEMBL
CHEMBL12712- UNII
- L790J4Y7A3
- EC Number
- 201-955-8
- Nikkaji
- J9D
物性
構造計算による物性
- XLogP
- 1.4
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 85
実験および物理化学的性質
SpringerMaterials PropertiesOptical coefficient
Physical Description
2-chlorobenzylamine appears as a colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
物理化学的性質
- 融点
- 227 · 227-228 °C(Solv: N,N-dimethylformamide (68-12-2))
- 沸点
- 215 °C · 215 °C(lit.)
- 比重(密度)
- 1.173 g/mL · 1.173 g/mL at 25 °C(lit.)
- 蒸気圧
- 10.292 Pa · 10.292Pa at 25℃
- 屈折率
- 20 · n20/D 1.562(lit.)
- 闪点
- 195 °F · 195 °F
- 貯蔵温度
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 酸解離定数(Pka)
- 8.52 · 8.52±0.10(Predicted)
- 外見
- 液体
- 比重
- 1.173 · 1.173 (20/4℃)
- 色
- クリアイエロー
- BRN
- 907186 · 907186
- InChI
- 1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
- InChIKey
- KDDNKZCVYQDGKE-UHFFFAOYSA-N
- SMILES
- NCc1ccccc1Cl
- LogP
- 1.6 · 1.6
- CAS データベース
- 89 · 89-97-4(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Benzenemethanamine, 2-chloro-(89-97-4)
- EPAの化学物質情報
- 2 · 2-Chlorobenzylamine (89-97-4)
化学的性質
化学的特性Colorless to light yellow liqui
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
H302 (41.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: 2-chlorobenzylamine (EC: 201-955-8)
2-Chlorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
2-CHLOROBENZYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsSomewhat soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (41.2%)
安全と保護具
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
安全データ
- F
- 9-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214980
- risk_code
- 36/37/38-34-37
- 化審法
- (3)-4353
- 消防法
- 危-4-3-III
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
General Manufacturing InformationBenzenemethanamine, 2-chloro-: ACTIVE
応用分野
用途有機合成原料。
使用2-Chlorobenzylamine is a chlorinated derivative of benzylamine. 2-Chlorobenzylamine showed plasmin inhibitory activity as well as inhibition of bovine thrombin activity.
一般的な説明A colorless liquid with a slight amine odor. Somewhat soluble in water. Denser than water. Flash point 192°F. Vapors are heavier than air. Inhalation of vapors may severely irritate mucous membranes and upper respiratory tract. May severely irritate and possible burn skin. Severe eye irritant. May cause permanent damage or temporary blindness.
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