3-Bromoisoquinoline
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Basic information
- CAS
34784-02-6- Standard SMILES
Brc1cc2ccccc2cn1- InChIKey
ZWJYXJDEDLXUHU-UHFFFAOYSA-N- Molecular formula
- C9H6BrN
- Average molar mass
- 208.05 g/mol
- Monoisotopic mass
- 206.96836129
Names & identifiers
- Preferred name
- 3-Bromoisoquinoline
- IUPAC
- 3-bromoisoquinoline
- English name
- 3-BROMOISOQUINOLINE
- Molecular formula
- C9H6BrN
- Molecular weight
- 208.05
Names & synonyms
3-bromoisoquinoline34784-02-6isoquinoline, 3-bromo-DTXSID60348834RefChem:93247DTXCID90299906640-652-9InChI=1/C9H6BrN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-63-Bromo-isoquinolineMFCD00234479SCHEMBL427159CS-B0168
Show more names
3-BROMOISOQUINOLINE 97%3-Bromo-2-azanaphthalene3-Bromoisoquinoline ,99%3-BROMOISOQUINOLINE ISO 9001：2015 REACH
STR09693AKOS015835861PB12162PS-5013AC-282973-Bromoisoquinoline,AM200511023-Bromoisoquinoline, 95%
Database identifiers
- CAS
34784-02-6- PubChem CID
- 640969
- DTXSID
DTXSID60348834- EC Number
- 640-652-9
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 63 · 63-64 °C
- Boiling point
- 316.3 · 316.3±15.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 1.84 · 1.84±0.30(Predicted)
- form
- solid
- Appearance
- White to light brown Solid
- InChI
- 1S/C9H6BrN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
- InChIKey
- ZWJYXJDEDLXUHU-UHFFFAOYSA-N
- SMILES
- BrC1=CC2=C(C=N1)C=CC=C2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
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
Danger
H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.2%)
Safety data
- wgk
- 3
- hs_code
- 29334900
- risk_code
- 22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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