7-Methylisoquinoline

HCID 104669
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Basic information

CAS
54004-38-5
Standard SMILES
Cc1ccc2ccncc2c1
InChIKey
GYVUMHXXXAATFQ-UHFFFAOYSA-N
Molecular formula
C10H9N
Average molar mass
143.18 g/mol
Monoisotopic mass
143.07349929

Names & identifiers

Preferred name
7-Methylisoquinoline
IUPAC
7-methylisoquinoline
English name
7-methylisoquinoline
Molecular formula
C10H9N
Molecular weight
143.19

Names & synonyms

7-Methylisoquinoline54004-38-5EINECS 258-913-7DTXSID20202322RefChem:546876DTXCID20124813258-913-7Isoquinoline, 7-methyl-7-methyl isoquinoline7-Methylisoquinoline #SCHEMBL761399SCHEMBL2355470
Show more names
7-Methylisoquinoline ,97%7-methylisoquinoline ISO 9001：2015 REACH
SCHEMBL2355660SCHEMBL2358946SCHEMBL3091581SCHEMBL5926099SCHEMBL308245034P8C8S39D2MFCD11226894AKOS006324996

Database identifiers

CAS
54004-38-5
PubChem CID
104669
DTXSID
DTXSID20202322
UNII
4P8C8S39D2
EC Number
258-913-7
Nikkaji
J101.282G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
67 · 67-68 °C
Boiling point
30 · 30-35 °C
Density
1.076 · 1.076±0.06 g/cm3(Predicted)
pka
5.63 · 5.63±0.10(Predicted)
FDA UNII
4 P8C8S39D2 · 4P8C8S39D2
Symbol(GHS)
6 · GHS06,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, 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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
29334900
Signal word
Danger
Symbol(GHS)
GHS06,GHS07
safety_code
24/25
Hazard statements
H302-H311-H315-H319
Precautionary statements
P264-P270-P280-P301+P312-P330-P302+P352-P312-P361+P364-P332+P313-P362+P364-P305+P351+P338-P337+P313-P405-P501

Chemistry & industry

Upstream & downstream products

Suppliers13 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京凯姆铂医药科技有限公司025-66162170

Related reactions

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Compound notes

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