1-Methylindoline-5-carboxylic acid

HCID 23092002CAS 380922-37-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCc2cc(C(=O)O)ccc21
InChIKey
GRSSYQXLYOLWFY-UHFFFAOYSA-N
Molecular formula
C10H11NO2
Average molar mass
177.2 g/mol
Monoisotopic mass
177.07897859

Names & identifiers

Preferred name
1-Methylindoline-5-carboxylic acid
IUPAC
1-methyl-2,3-dihydroindole-5-carboxylic acid
English name
1-Methylindoline-5-carboxylic acid 97%
Molecular formula
C10H11NO2
Molecular weight
177.2

Names & synonyms

1-Methylindoline-5-carboxylic acidRefChem:434639641-246-4380922-37-2MFCD098799111-Methyl-2,3-dihydro-1H-indole-5-carboxylic acid1-methyl-2,3-dihydroindole-5-carboxylic acid1H-Indole-5-carboxylic acid, 2,3-dihydro-1-methyl-orb3031497SCHEMBL2819895DTXSID306305361-Methylindoline-5-carboxylicacid
Show more names
1-Methylindoline-5-carboxylicacid97%1-Methylindoline-5-carboxylic acid 97%1-Methylindoline-5-carboxylic acid 97%1-Methylindoline-5-carboxylic acid 95+%2,3-Dihydro-1-methyl-1H-indole-5-carboxylic acid, 5-Carboxy-1-methylindoline
GRSSYQXLYOLWFY-UHFFFAOYSA-N1-Methyl-5-indolinecarboxylic acidFr12318FQA92237SBB089265AKOS011374578PS-3762SB64239

Database identifiers

CAS
380922-37-2
PubChem CID
23092002
DTXSID
DTXSID30630536
EC Number
641-246-4

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
220.5 · 220.5-230°C
storage temp.
-20 °C, · -20°C, sealed storage, away from moisture
form
powder
color
Light grey
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P280-P271

Chemistry & industry

Applications

Uses1-Methylindoline-5-carboxylic Acid is a useful reagent for the preparation of p-Aminobenzoic Acids and their Methyl Esters which are useful building blocks for organic synthesis processes.

Suppliers24 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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