4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)アニリン
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
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基本情報
- CAS
690632-18-9- 標準SMILES
Cn1cnnc1-c1ccc(N)cc1- InChIKey
FUZWWFVYRMIXMT-UHFFFAOYSA-N- 分子式
- C9H10N4
- 平均分子量
- 174.2 g/mol
- 単同位体質量
- 174.09054634
名称と識別子
- 優先名称
- 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
- IUPAC
- 4-(4-methyl-1,2,4-triazol-3-yl)aniline
- 現地名
- 4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)アニリン
- 英語名
- 4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ANILINE
- 分子式
- C9H10N4
- 分子量
- 174.2
名称と別名
4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline690632-18-9DTXSID90383410RefChem:514379DTXCID60334434109-000-6687-632-64-(4-methyl-1,2,4-triazol-3-yl)anilineBenzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-MFCD062008854-(4-methyl-1,2,4-triazol-3-yl)phenylamine[4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amine
名称をさらに表示
4-(4-メチル-4H-1,2,4-トリアゾール-3-イル)アニリンTIMTEC-BB SBB0054034-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline95%[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]amine3-(4-Aminophenyl)-4-methyl-4H-1,2,4-triazole4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline90%4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline 90%
TimTec1_004161SCHEMBL62239Benzenamine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-HMS1545N03ALBB-025614SBB005403STK803105AKOS003375495
データベース識別子
- CAS
690632-18-9- PubChem CID
- 2794785
- DTXSID
DTXSID90383410- EC Number
- 109-000-6、687-632-6
物性
構造計算による物性補完中
- XLogP
- 0.4
- 極性表面積
- 56.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 165
物理化学的性質
- 沸点
- 394.3 · 394.3±44.0 °C(Predicted)
- 比重(密度)
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 3.25 · 3.25±0.10(Predicted)
- 外見
- solid
- 色
- Orange
- InChI
- 1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
- InChIKey
- FUZWWFVYRMIXMT-UHFFFAOYSA-N
- SMILES
- Cn1cnnc1-c2ccc(N)cc2
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 2 reports by companies from 2 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 Categories
Acute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Acute Tox. 3 (100%)
安全データ
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 25
- hazard_code
- T
- hazard_note
- Harmful
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 Oral
関連反応
8 件
化合物ノート
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