Basic information
- CAS
36953-42-1- Standard SMILES
Clc1ccncc1Br- InChIKey
QADXKWUCCGPQNR-UHFFFAOYSA-N- Molecular formula
- C5H3BrClN
- Average molar mass
- 192.44 g/mol
- Monoisotopic mass
- 190.91374
Names & identifiers
- Preferred name
- 3-Bromo-4-chloropyridine
- IUPAC
- 3-bromo-4-chloropyridine
- English name
- 3-Bromo-4-chloropyridine
- Molecular formula
- C5H3BrClN
- Molecular weight
- 192.44
Names & synonyms
3-bromo-4-chloropyridine36953-42-1DTXSID00958133RefChem:498621DTXCID501386050690-646-53-Bromo-4-chloro-pyridineMFCD002340081812569-18-8PYRIDINE, 3-BROMO-4-CHLORO-4-CHLORO-3-BROMOPYRIDINESCHEMBL360577
Show more names
3-BroMo-4-chloridepyridine3-Bromo-4-chloropyridine,98%3-broMo -4-chlorine pyridine3-BroMo-2-chloropyridine, 97+%3-BroMo-4-chloropyridine, 98% 1GR3-Bromo-4-chloropyridine ISO 9001：2015 REACHTIANFUCHEM--36953-42-1--3-Bromo-4-chloropyridine in stock
SCHEMBL3432939SCHEMBL5468074SCHEMBL18938725SCHEMBL29571714QADXKWUCCGPQNR-UHFFFAOYSA-NCS-M3246AC-160SBB054249
Database identifiers
- CAS
36953-42-1- PubChem CID
- 817696
- DTXSID
DTXSID00958133- EC Number
- 690-646-5
- Nikkaji
- J1.272.598A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78
Physicochemical properties
- Melting point
- 17.5 · 17.5-18.5 °C
- Boiling point
- 115 °C · 115 °C(Press: 20 Torr)
- Density
- 1.19 · 1.19
- refractive index
- 1.453 · 1.453
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- Liquid After Melting
- pka
- 1.74 · 1.74±0.10(Predicted)
- color
- Clear colorless to yellow
- InChI
- InChI=1S/C5H3BrClN/c6-4-3-8-2-1-5(4)7/h1-3H
- InChIKey
- QADXKWUCCGPQNR-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(Cl)=C1Br
- CAS DataBase Reference
- 36953 · 36953-42-1(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 3 reports by companies from 3 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29333990
- risk_code
- 36/37/38-20/22-41-37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- safety_code
- 36/37/39-26-22-45-39
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses3-Bromo-4-chloropyridine can be used as a bulk drug intermediate in pharmaceutical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
37 records
Compound notes
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