3-クロロ-4-フルオロアニリン

3-Chloro-4-fluoroaniline

HCID 9708CAS 367-21-5
部分構造検索類似構造を探す

基本情報

標準SMILES
Nc1ccc(F)c(Cl)c1
InChIKey
YSEMCVGMNUUNRK-UHFFFAOYSA-N
分子式
C6H5ClFN
平均分子量
145.56 g/mol
単同位体質量
145.009455

名称と識別子

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

名称と別名

3-CHLORO-4-FLUOROANILINE367-21-5Benzenamine, 3-chloro-4-fluoro-Aniline, 3-chloro-4-fluoro-7L63CC70UQNSC-10290DTXSID0038754RefChem:93423DTXCID8018754206-682-83-Chloro-4-fluorobenzenamine4-FLUORO-3-CHLOROANILINE
名称をさらに表示
3-クロロ-4-フルオロアニリン4-フルオロ-3-クロロアニリン3-クロロ-4-フルオロベンゼンアミン3クロロ4フルオロアニリン3‐クロロ‐4‐フルオロアニリンFluorochloroanilineNSC 102903-Chloro-4-fluAKOS BBS-00003577Chloro-4-fluoroanil3-Chloro-4-fluoroaniGefitinib Impurity KGefitinib IMpurity V
3-Chloro-4-fluorophenylamineGefitinib Impurity 363-chloro-4-fluoro aniline3-chloro-4-fluoro-anilineMFCD000077674-fluoro-3-chlorophenylamine3-Chloro-4-fluoroaniline(Chunks or pellets)3-chloro-4-fluoro-phenylamine

データベース識別子

CAS
367-21-5
PubChem CID
9708
DTXSID
DTXSID0038754
UNII
7L63CC70UQ
EC Number
206-682-8
Nikkaji
J94.735K

物性

構造計算による物性

XLogP
2.1
極性表面積
26 Ų
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

物理化学的性質

融点
42 · 42-44 °C (lit.)
沸点
227 · 227-228 °C (lit.)
比重(密度)
1 · 1,226 g/cm3
蒸気圧
0.01 hPa · 0.01 hPa (20 °C)
屈折率
1 · 1,54-1,542
闪点
230 °F · >230 °F

化学的性質

化学的特性dark purple to black solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (43%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (60.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H318 (36.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (55.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 (60.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 10 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 · 2 件

Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24633

3-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (55.7%)；Acute Tox. 4 (43%)；Acute Tox. 3 (60.8%)；Eye Dam. 1 (36.7%)；Acute Tox. 3 (55.7%)；STOT RE 2 (60.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24633

3-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
9-23
wgk
2
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 2
毒性
LD50 orally in Rabbit: 506 mg/kg
hs_code
29214210

化学と産業

用途と製造

General Manufacturing InformationBenzenamine, 3-chloro-4-fluoro-: ACTIVE

応用分野

用途有機合成原料。

一般的な説明The exposure of workers to 3-chloro-4-fluoroaniline (CFA) was monitored by an HPLC method.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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