3-Bromophenanthrene

HCID 96767

Notes Reactions

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Basic information

CAS: 715-50-4
Standard SMILES: Brc1ccc2ccc3ccccc3c2c1
InChIKey: BNGNNFQSUWVWCW-UHFFFAOYSA-N
Molecular formula: C14H9Br
Average molar mass: 257.12 g/mol
Monoisotopic mass: 255.98876239

Names & identifiers

Preferred name: 3-Bromophenanthrene
IUPAC: 3-bromophenanthrene
English name: 3-Bromophenanthrene
Molecular formula: C14H9Br
Molecular weight: 257.13

Names & synonyms

3-BromophenanthreneBNGNNFQSUWVWCW-UHFFFAOYSA-RefChem:499363695-586-3InChI=1/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H715-50-4Phenanthrene, 3-Bromo-MFCD06797074NCIOpen2_005492AKOS015835897AS-47786F16147

Show more names

3-BROMOPHENTHRENE3-Bromophenanthrene >3-Bromophenanthrene 96%3-Bromophenanthrene in isooctane

F9995-1259NSC89103NSC 89103FT-06328673-Bromophenanthrene, 96%A837241BCP089SCHEMBL1527465

Database identifiers

CAS: 715-50-4
PubChem CID: 96767
DTXSID: DTXSID80221716
EC Number: 695-586-3
Nikkaji: J758.111D

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 81 · 81-86 °C
Boiling point: 389.7 · 389.7±11.0 °C(Predicted)
Density: 1.479 · 1.479±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Orange to Green
InChI: InChI=1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChIKey: BNGNNFQSUWVWCW-UHFFFAOYSA-N
SMILES: C1=C2C(C3C(C=C2)=CC=CC=3)=CC(Br)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 315 · H315-H318-H335-H410
Precautionary statements: 261 · P261-P264-P273-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-50/53-41-37/38
Safety Statements: 22 · 22-36/37/39-61-60-39-26
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 3 · 3
HS Code: 2903998090 · 2903998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

wgk: 3
ridadr: UN 3077 9 / PGIII
hs_code: 2903998090
risk_code: 20/21/22-50/53-41-37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xi
safety_code: 22-36/37/39-61-60-39-26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H318-H335-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P273-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Bromophenanthrene can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Upstream & downstream products

Downstream products

3-phenanthreneboronic acid

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

郑州海阔光电材料有限公司67759225 13526468238 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

1 records

New reaction record

HRID 68498As reactantuspto-grants-2014_09

Compound notes

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