Basic information
- CAS
896722-53-5- Standard SMILES
COc1ccc2cc[nH]c2n1- InChIKey
LNEHZEFKSUBWTA-UHFFFAOYSA-N- Molecular formula
- C8H8N2O
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.06366288
Names & identifiers
- Preferred name
- 6-methoxy-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 6-methoxy-1H-pyrrolo[2,3-b]pyridine
- English name
- 6-methoxy-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C8H8N2O
- Molecular weight
- 148.16
Names & synonyms
6-Methoxy-1H-pyrrolo[2,3-b]pyridine896722-53-5DTXSID804694596-Methoxy-1H-pyrrolo(2,3-b)pyridineRefChem:308713DTXCID30420277635-885-86-Methoxy-7-azaindoleMFCD06659665SCHEMBL11504266-Methoxy-7-azaindole, 97%1H-Pyrrolo[2,3-b]pyridine,6-methoxy-
Show more names
6-Metho×y-7-azaindole,
AMY28521H-PYRROLO[2,3-B]PYRIDINE, 6-METHOXY-SCHEMBL323556SCHEMBL29850412LNEHZEFKSUBWTA-UHFFFAOYSA-NCS-B0494AKOS006348870PB18740
Database identifiers
- CAS
896722-53-5- PubChem CID
- 11615191
- DTXSID
DTXSID80469459- EC Number
- 635-885-8
- Nikkaji
- J2.571.941G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Density
- 1.244 · 1.244±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 14.1 · 14.10±0.40(Predicted)
- Appearance
- Off-white to pink Solid
- InChI
- InChI=1S/C8H8N2O/c1-11-7-3-2-6-4-5-9-8(6)10-7/h2-5H,1H3,(H,9,10)
- InChIKey
- LNEHZEFKSUBWTA-UHFFFAOYSA-N
- SMILES
- C12NC=CC1=CC=C(OC)N=2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers87 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
阜新孚隆宝医药科技有限公司15901742157 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
9 records
Compound notes
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