4-ヨード-2-メチルアニリン

4-Iodo-o-toluidine

HCID 83221CAS 13194-68-8
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cc(I)ccc1N
InChIKey
BGKLFAQCHHCZRZ-UHFFFAOYSA-N
分子式
C7H8IN
平均分子量
233.05 g/mol
単同位体質量
232.97015

名称と識別子

優先名称
4-Iodo-o-toluidine
IUPAC
4-iodo-2-methylaniline
現地名
4-ヨード-2-メチルアニリン
英語名
4-Iodo-2-methylaniline
分子式
C7H8IN
分子量
233.05

名称と別名

4-Iodo-2-methylaniline13194-68-84-iodo-2-methylbenzenamine4-Iodo-o-toluidineEINECS 236-154-2DTXSID50157270NSC 60731RefChem:524233DTXCID5079761236-154-2InChI=1/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H2-Amino-5-iodotoluene
名称をさらに表示
4-ヨード-2-メチルアニリン2-メチル-4-ヨードアニリン4-ヨード-2-メチルベンゼンアミン2メチル4ヨ-ドアニリン2-アミノ-5-ヨードトルエン4-ヨード-o-トルイジンAURORA 11264-Iodo-2-methyLBUTTPARK 24\04-61AKOS BBS-000079534-iodo-2-methylanil4-Iodo-2-MethylalinineAniline, 4-iodo-2-methyl-
Benzenamine, 4-iodo-2-methyl-2-methyl-4-iodoanilineMFCD000252994-iodo-2-methylphenylamineNSC-60731EN300-17571(4-iodo-2-methylphenyl)amine4-iodo-2-methyl-aniline

データベース識別子

CAS
13194-68-8
PubChem CID
83221
DTXSID
DTXSID50157270
UNII
A5H7S58H7W
EC Number
236-154-2
Nikkaji
J213.740B

物性

構造計算による物性

XLogP
2
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
0
重原子数
9

物理化学的性質

融点
86 · 86-89 °C (lit.)
沸点
278.4 · 278.4±28.0 °C(Predicted)
比重(密度)
1.791 · 1.791±0.06 g/cm3(Predicted)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal

化学的性質

化学的特性Grey to purple crystals

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 58 reports by companies from 6 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (98.3%)；Eye Irrit. 2 (98.3%)；Acute Tox. 4 (100%)；STOT SE 3 (96.6%)

安全データ

wgk
3
ridadr
2811
hs_code
29214300
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
hazard_note
Irritant

化学と産業

応用分野

用途有機合成原料。

使用4-IODO-2-METHYLANILINE serves as a starting material for synthesizing 2,8-difluoro-4,10-dimethyl-6H,12H-5,11-methanodibenzo[b,f]diazocine via reaction with paraformaldehyde, and is employed in various other synthetic routes[3][4].

調製方法

純化方法Crystallise it from 50% EtOH. [Beilstein 12 IV 1807.]

上流・下流製品情報

サプライヤー50 社

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [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]
上海策嵘生物科技有限公司[email protected]

関連反応

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