4‐メチル‐2‐ニトロ安息香酸

4-Methyl-2-nitrobenzoic acid

HCID 255027
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基本情報

CAS
27329-27-7
標準SMILES
Cc1ccc(C(=O)O)c([N+](=O)[O-])c1
InChIKey
KZLLSSGOPIGKDO-UHFFFAOYSA-N
分子式
C8H7NO4
平均分子量
181.15 g/mol
単同位体質量
181.0375077

名称と識別子

優先名称
4-Methyl-2-nitrobenzoic acid
IUPAC
4-methyl-2-nitrobenzoic acid
現地名
4‐メチル‐2‐ニトロ安息香酸
英語名
4-METHYL-2-NITROBENZOIC ACID
分子式
C8H7NO4
分子量
181.15

名称と別名

4-Methyl-2-nitrobenzoic acidDTXSID20292061RefChem:1071089DTXCID5024320327329-27-7MFCD00033899Benzoic acid, 4-methyl-2-nitro-4-Methyl-2-nitro-benzoic acid4-Methyl-2-nitrobenzoicacidNSC80180NCIOpen2_000870SCHEMBL406111
名称をさらに表示
4‐メチル‐2‐ニトロ安息香酸4-メチル-2-ニトロ安息香酸2-ニトロ-4-メチル安息香酸NSC 801802-Nitro-p-toluic acid4-Methyl-2-nitrobenzoic acid 97%4-METHYL-2-NITROBENZOIC ACID 974-METHYL-2-NITROBENZOIC ACID 97 ISO 9001：2015 REACH
CL4137NSC-801804-Methyl-2-nitrobenzoic acid, 97%AKOS015889589AKOS016008510CS-W008031DS-3929AC-28539

データベース識別子

CAS
27329-27-7
PubChem CID
255027
DTXSID
DTXSID20292061
EC Number
627-464-2
Nikkaji
J1.612.003K

物性

構造計算による物性

XLogP
2.6
極性表面積
83.1 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
13

物理化学的性質

融点
160 · 160-164 °C (lit.)
沸点
367.6 · 367.6±30.0 °C(Predicted)
比重(密度)
1.392 · 1.392±0.06 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
外見
powder
酸解離定数(Pka)
2.36 · 2.36±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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 CategoriesAcute Tox. 4 (97.6%)；Skin Sens. 1 (97.6%)

安全データ

wgk
3
hs_code
2916399090
risk_code
22-43
hazard_code
Xn
safety_code
37/39
Hazard Classifications
Acute Tox. 4 OralSkin Sens. 1

化学と産業

応用分野

使用4-Methyl-2-nitrobenzoic acid is a chemical that can be used for wastewater treatment.

上流・下流製品情報

サプライヤー85 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

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