HCID66833

5-Aminoisophthalic acid

5-aminobenzene-1,3-dicarboxylic acid

C8H7NO4181.15 g/molCAS 99-31-0

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IDENTITY

结构与身份

标准SMILES: Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIKey: KBZFDRWPMZESDI-UHFFFAOYSA-N
分子式: C8H7NO4
平均分子量: 181.15 g/mol
单同位素质量: 181.0375077

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 101 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 206

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

Light brown powder; [Alfa Aesar MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (32.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (82%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80.3%): 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, 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 61 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 23-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19039

5-Aminoisophthalic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Isophthalic acid. See Aniline.

Hazard Classes and Categories

Acute Tox. 4 (32.8%)；Skin Irrit. 2 (82%)；Eye Irrit. 2A (96.7%)；STOT SE 3 (80.3%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 23-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19039

5-Aminoisophthalic acid: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源：PubChem

General Manufacturing Information

1,3-Benzenedicarboxylic acid, 5-amino-: ACTIVE

ALIASES

名称与别名

共 50 条

5-Aminoisophthalic acid99-31-01,3-Benzenedicarboxylic acid, 5-amino-3,5-DicarboxyanilineIsophthalic acid, 5-amino-5R25Y7Y34DNSC-60141DTXSID7059193RefChem:532433DTXCID5049102202-748-55-Aminobenzene-1,3-dicarboxylic acidMFCD000025225-AMINO-1,3-BENZENEDICARBOXYLIC ACID5-Amino-1,3-isophthalic acid5-AminoisophthalicacidNSC60141EINECS 202-748-5NSC 601415-aminoisophtalic acid

REACTIONS