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Methyl indolizine-2-carboxylate

HCID 600232
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16959-62-9
Standard SMILES
COC(=O)c1cc2ccccn2c1
InChIKey
PZENCFVMMTWFIK-UHFFFAOYSA-N
Molecular formula
C10H9NO2
Average molar mass
175.18 g/mol
Monoisotopic mass
175.06332853

Names & identifiers

Preferred name
Methyl indolizine-2-carboxylate
IUPAC
methyl indolizine-2-carboxylate
English name
Indolizine-2-carboxylic acid methyl ester
Molecular formula
C10H9NO2
Molecular weight
175.18

Names & synonyms

methyl indolizine-2-carboxylate16959-62-9DTXSID80344898RefChem:817804DTXCID40295973831-679-9Indolizine-2-carboxylic acid methyl esterMFCD131786362-Indolizinecarboxylic acid, methyl ester2-CarbomethoxyindolizineMethyl 2-indolizinecarboxylatemethylindolizine-2-carboxylate
Show more names
EOS-607012-Indolizinecarboxylic acid methyl esterindoleazine-2-carboxylic acidmethyl ester
SCHEMBL4915811RAA95962AKOS023166505AS-78893DA-26102SY189942CS-0067843EN300-80632

Database identifiers

CAS
16959-62-9
PubChem CID
600232
DTXSID
DTXSID80344898
EC Number
831-679-9
Nikkaji
J102.518J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
30.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
205

Physicochemical properties

Melting point
97 · 97-98 °C
Density
1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.
Store at room temperature
Appearance
Light yellow to brown Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H317
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H317
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers42 total

西安凯美科新材料有限公司13720451009 13720451009 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
绵阳菁华科技有限公司17378635159
Accendatech Co., Ltd.+undefined+86-13132578992 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
天津尚德药缘科技有限公司13132578992 · [email protected]
深圳市格物致欣化学技术有限公司13226079980 · [email protected]
北京五蕴永昌科技有限公司15210642910 · [email protected]
无锡丽康生物医药科技有限公司15250805028 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
聿锦(天津)科技有限公司13370351217 kungfu1217@1 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
三晶新材料科技(泰州)有限公司13852622638 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]

Related reactions

16 records
New reaction record
HRID 142666 reaction equation
HRID 142666As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 519388 reaction equation
HRID 519388As productuspto-grants-2015_08
HRID 519389 reaction equation
HRID 519389As reactantuspto-grants-2015_08
HRID 592813 reaction equation
HRID 592813As productuspto-grants-2016_01
HRID 592814 reaction equation
HRID 592814As reactantuspto-grants-2016_01
HRID 704073 reaction equation
HRID 704073As reactantuspto-grants-1991_01
HRID 1021880 reaction equation
HRID 1021880As productuspto-grants-2014_05
HRID 1021881 reaction equation
HRID 1021881As reactantuspto-grants-2014_05
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes