3-Bromo-4-chloroquinoline
Basic information
- CAS
74575-17-0- Standard SMILES
Clc1c(Br)cnc2ccccc12- InChIKey
WRRLTIGYGHAAOP-UHFFFAOYSA-N- Molecular formula
- C9H5BrClN
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.92939
Names & identifiers
- Preferred name
- 3-Bromo-4-chloroquinoline
- IUPAC
- 3-bromo-4-chloroquinoline
- English name
- 3-BROMO-4-CHLOROQUINOLINE
- Molecular formula
- C9H5BrClN
- Molecular weight
- 242.5
Names & synonyms
3-Bromo-4-chloroquinoline74575-17-0DTXSID20347146RefChem:93156DTXCID50298218804-049-6WRRLTIGYGHAAOP-UHFFFAOYSA-NMFCD057388863-bromo-4-chloro-quinolineQuinoline, 3-bromo-4-chloro-SCHEMBL6822558SCHEMBL31384389
Show more names
3-bromo-4-chloroquinoline(SALTDATA: FREE)
AKOS0063374253-Bromo-4-chloroquinoline, AldrichCPRSB21335DS-12888SY042502DB-006369CS-0096780EN300-213829
Database identifiers
- CAS
74575-17-0- PubChem CID
- 618306
- DTXSID
DTXSID20347146- EC Number
- 804-049-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 69 · 69-70℃
- Density
- 1.673 · 1.673±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H5BrClN/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
- InChIKey
- WRRLTIGYGHAAOP-UHFFFAOYSA-N
- SMILES
- Clc1c(Br)cnc2ccccc12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P305+P351+P338+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25-41
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
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 3 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933499090
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310+P330-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
15 records
Compound notes
Loading…