3-Bromopyridazine

HCID 13126699CAS 88491-61-6

Basic information

Standard SMILES
Brc1cccnn1
InChIKey
ILYSUJOMLYXAOC-UHFFFAOYSA-N
Molecular formula
C4H3BrN2
Average molar mass
158.98 g/mol
Monoisotopic mass
157.94796

Names & identifiers

Preferred name
3-Bromopyridazine
IUPAC
3-bromopyridazine
English name
Pyridazine, 3-bromo- (9CI)
Molecular formula
C4H3BrN2
Molecular weight
158.98

Names & synonyms

3-bromopyridazine88491-61-6DTXSID10520082RefChem:277796DTXCID80470888811-583-33-Bromo-pyridazineMFCD10688587Pyridazine, 3-bromo-SCHEMBL180986SCHEMBL209412SCHEMBL18938588
Show more names
3-bromo- (9CI)3-Bromopyridazine ,97%Pyridazine, 3-bromo- (9CI)3-broMopyridazine hydrobroMidePyridazine, 3-bromo- (9CI) ISO 9001:2015 REACH
SCHEMBL30828602ILYSUJOMLYXAOC-UHFFFAOYSA-NAKOS009548430CS-W004020FB72022GS-4388MB08580AC-25814

Database identifiers

CAS
88491-61-6
PubChem CID
13126699
DTXSID
DTXSID10520082
EC Number
811-583-3
Nikkaji
J1.002.398J

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Melting point
73 · 73-74 °C
Boiling point
270 · 270.0±13.0 °C(Predicted)
Density
1.726 · 1.726±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
form
solid
pka
0.99 · 0.99±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 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 (83.3%);Skin Irrit. 2 (66.7%);Eye Dam. 1 (33.3%);Eye Irrit. 2A (33.3%);Acute Tox. 4 (50%);STOT SE 3 (66.7%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H319-H335-H302+H332-H315
Hazard Classifications
Acute Tox. 4 Oral

Chemistry & industry

Applications · 1 item

Description3-Bromopyridine can undergo lithiation with LDA at low temperatures in the 4-position: Heterocycles, involved in formation of the Grignard by Mg exchange with i-PrMgCl and in transmetallation of the lithiated derivative with zinc chloride followed by treatment with an electrophile as a route to 4-substituted 3-bromopyridines1-4. 3-Bromopyridine is also used as an intermediate in the synthesis of Active Pharmaceutical Ingredients especially Abiraterone acetate (an antiandrogen medication which is used in the treatment of prostate cancer) and Zimelidine (selective serotonin reuptake inhibitor (SSRI) antidepressants)5.

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

Related reactions

2 records

Linked notes

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