基本情報
- 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
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
名称をさらに表示
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
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
GHS分類
GHS Classification
Danger
H302 (41.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (41.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (93.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12260
2-Chlorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
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.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;SMALL FIRE: Dry chemical, CO2 or water spray.;LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. Removal of solidified molten material from skin requires medical assistance. (ERG, 2024)
Nonfire Spill Response
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:;Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)
法規制情報
Regulatory Information
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12260
2-Chlorobenzylamine: Does not have an individual approval but may be used under an appropriate group standard
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
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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