2,3-Dimethylindole

HCID 7053
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
91-55-4
Standard SMILES
Cc1[nH]c2ccccc2c1C
InChIKey
PYFVEIDRTLBMHG-UHFFFAOYSA-N
Molecular formula
C10H11N
Average molar mass
145.2 g/mol
Monoisotopic mass
145.08914936

Names & identifiers

Preferred name
2,3-Dimethylindole
IUPAC
2,3-dimethyl-1H-indole
English name
2,3-Dimethylindole
Molecular formula
C10H11N
Molecular weight
145.2

Names & synonyms

2,3-Dimethylindole2,3-Dimethyl-1H-indole91-55-41H-Indole, 2,3-dimethyl-INDOLE, 2,3-DIMETHYL-TFW7O9HWZKDTXSID6059027NSC-24936RefChem:442536DTXCID0048719202-076-2NSC 24936
Show more names
2,3-dimethyl-indol2,3-DIMETHYLINDOLINE2.3.3-Trimethyl-6,7-2,3-dimethyl-1h-indol2,3-Dimethylindole,98%
MFCD00005617UNII-TFW7O9HWZK2,3-Dimethylindole, >=97%CHEMBL3252119HMS1648J03STL377851SY048829D1579

Database identifiers

CAS
91-55-4
PubChem CID
7053
DTXSID
DTXSID6059027
ChEMBL
CHEMBL3252119
UNII
TFW7O9HWZK
EC Number
202-076-2
Nikkaji
J45.614D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Vapor Pressure0.00179 [mmHg]
Physical DescriptionWhite crystalline solid; [Alfa Aesar MSDS]
Kovats Retention Index · 3 items

1490.3；1476；1484；1499；1477.2

1507.4；257.32；255.48

2502；2539

Physicochemical properties

Melting point
105 · 105-107 °C (lit.)
Boiling point
285 °C · 285 °C (lit.)
Density
1.0641 · 1.0641 (estimate)
refractive index
1.603 · 1.6030 (estimate)
Flash point
285 °C/750mm · 285°C/750mm
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, P317, 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 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.

Hazard information

Regulatory Information1H-Indole, 2,3-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 3-Methylindole.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (100%)；STOT SE 3 (50%)

Regulatory information

Regulatory Information1H-Indole, 2,3-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
NL7185000
hs_code
29339900
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indole, 2,3-dimethyl-: ACTIVE
Applications · 1 item

Uses2,3-Dimethylindole has been used to study the mechanism of oxidation of 2,3-dimethylindole by peroxodisulphate and peroxomonosulphate anions to 2-methylindole-2-carbaldehyde. It has been used to study the behaviour of methylindoles in the agilent multimode ion source by atmospheric pressure chemical ionization mass spectrometry.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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