3-chloro-1H-indole-5-carboxylic acid

HCID 21998723
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基本情報

CAS
1224699-05-1
標準SMILES
O=C(O)c1ccc2[nH]cc(Cl)c2c1
InChIKey
MZUYNTLMQOTJOQ-UHFFFAOYSA-N
分子式
C9H6ClNO2
平均分子量
195.6 g/mol
単同位体質量
195.0087061

名称と識別子

優先名称
3-chloro-1H-indole-5-carboxylic acid
IUPAC
3-chloro-1H-indole-5-carboxylic acid
英語名
3-chloro-1H-indole-5-carboxylic acid
分子式
C9H6ClNO2
分子量
195.6

名称と別名

3-chloro-1H-indole-5-carboxylic acid1224699-05-1RefChem:499656891-280-0MFCD20641935SCHEMBL26717443-chloro-5-indolecarboxylic acid3-Chloroindole-5-carboxylic AcidMZUYNTLMQOTJOQ-UHFFFAOYSA-NSY294238DB-105437CS-0338532
名称をさらに表示
1H-Indole-5-carboxylic acid, 3-chloro-
EN300-2795735

データベース識別子

CAS
1224699-05-1
PubChem CID
21998723
EC Number
891-280-0

物性

構造計算による物性

XLogP
2.2
極性表面積
53.1 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
1
重原子数
13

物理化学的性質

沸点
449.7 · 449.7±25.0 °C(Predicted)
比重(密度)
1.548 · 1.548±0.06 g/cm3(Predicted)
貯蔵温度
2 · Storage temp. 2-8°C
酸解離定数(Pka)
4.19 · 4.19±0.30(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 1 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

化学と産業

サプライヤー6 社

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

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