Benzenamine, 2-chloro-4-fluoro- (HCID 75013)

名称と識別子

優先名称: Benzenamine, 2-chloro-4-fluoro-
IUPAC: 2-chloro-4-fluoroaniline
現地名: 2-クロロ-4-フルオロアニリン
英語名: 2-Chloro-4-fluoroaniline
分子式: C6H5ClFN
分子量: 145.56

名称と別名

2-Chloro-4-fluoroaniline2106-02-7Benzenamine, 2-chloro-4-fluoro-2-chloro-4-fluorobenzenamineDTXSID5062182EINECS 218-282-0RefChem:561683DTXCID6036419218-282-0MFCD000425302-chloro-4-fluorophenylamine4-fluoro-2-chloroaniline

名称をさらに表示

2-クロロ-4-フルオロアニリン2-クロロ-4-フロロアニリン2クロロ4フルオロアニリン2-クロロ-4-フルオロアニリン, 98%2-chloro-4-fluoroaniline hydrochlorideCHLOROFLUOROANILINETIMTEC-BB SBB0041102-Chloro-4-fluoroani2-Chloro-4-fluoroniline2-Chloro-4-fuoroaniline

2-chloro-4-fluoro-aniline2-chloro-4-fluoro-phenylamine2-chloro-4fluoroaniline2-chloro-4-fluroaniline2-chloro-4-fluoro anilineSCHEMBL109905SCHEMBL2318248SCHEMBL7002860

データベース識別子

CAS: 2106-02-7
PubChem CID: 75013
DTXSID: DTXSID5062182
ChEMBL: CHEMBL2323849
UNII: K77X364T56
EC Number: 218-282-0
Nikkaji: J208.274H

物性

構造計算による物性

XLogP: 2.4
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 99

物理化学的性質

沸点: 192 °C · 192 °C (lit.)
比重(密度): 1.219 g/mL · 1.219 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.554(lit.)
闪点: 209 °F · 209 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 2.71 · 2.71±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.3111 · 1.3111.219
BRN: 2802559 · 2802559
InChI: InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey: XRAKCYJTJGTSMM-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C=C1Cl
CAS データベース: 2106 · 2106-02-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenamine, 2-chloro-4-fluoro- (2106-02-7)

化学的性質

化学的特性clear orange-brown to brown liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (12.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 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

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)；Acute Tox. 4 (89.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.9%)；STOT SE 3 (89.6%)；STOT RE 2 (12.5%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29214200
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 26-37/39-36/37/39-36-24/25
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids