CAS 596-43-0 Bromotriphenylmethane (HCID 11692)

Names & identifiers

Preferred name: Bromotriphenylmethane
IUPAC: [bromo(diphenyl)methyl]benzene
English name: Triphenylmethyl bromide
Molecular formula: C19H15Br
Molecular weight: 323.23

Names & synonyms

Triphenylmethyl bromideBromotriphenylmethane596-43-0Trityl bromideMETHANE, BROMOTRIPHENYL-Benzene, 1,1',1''-(bromomethylidyne)tris-2-Bromo-1,1,1-triphenylethaneEINECS 209-884-4EWY6H8D4L5NSC 66464BRN 1878494AI3-51274

Show more names

TritylBromide>bromotriphenyl-methanTRIPHENYLBROMOMETHANE1,3,5-TriphenibenzeneTriphenylmethylebromideBromidetriphenylmethane

NSC-66464DTXSID40604944-05-00-02500 (Beilstein Handbook Reference)1,1',1''-(BROMOMETHYLIDYNE)TRIS(BENZENE)Methane, bromotriphenylRefChem:570398DTXCID7042647Benzene, 1,1',1''(bromomethylidyne)tris

Database identifiers

CAS: 596-43-0
PubChem CID: 11692
DTXSID: DTXSID4060494
ChEMBL: CHEMBL270127
UNII: EWY6H8D4L5
EC Number: 209-884-4
Nikkaji: J6.784I

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 235

Experimental & physicochemical properties

PolymersOther Classes -> Halogenated Polyaromatics

SpringerMaterials PropertiesCrystal structure

Physical DescriptionLight yellow powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 152 · 152-154 °C(lit.)
Boiling point: 230 °C15 · 230 °C15 mm Hg(lit.)
Density: 1 · 1,55 g/cm3
refractive index: 1.6411 · 1.6411 (estimate)
Flash point: 230 °C/15mm · 230°C/15mm
storage temp.: 2 · 2-8°C
solubility: 0.1 g/mL, · dioxane: 0.1 g/mL, clear
form: Crystalline Powder
color: Light yellow
Sensitive: Moisture Sensitive
BRN: 1878494 · 1878494
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
InChI: 1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey: NZHXEWZGTQSYJM-UHFFFAOYSA-N
SMILES: BrC(c1ccccc1)(c2ccccc2)c3ccccc3
CAS DataBase Reference: 596 · 596-43-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 H8D4L5 · EWY6H8D4L5
NIST Chemistry Reference: 1 · Benzene, 1,1',1''-(bromomethylidyne)tris-(596-43-0)
EPA Substance Registry System: Bromotriphenylmethane (596-43-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 5550000 · PA5550000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationBenzene, 1,1',1''-(bromomethylidyne)tris-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Triphenylmethane. See Chlorotriphenylmethane.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: PA5550000
ridadr: UN 3261 8/PG 2
hs_code: 29039990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,1',1''-(bromomethylidyne)tris-: INACTIVE

Applications · 2 items

UsesReagent for the preparation of trityl esters.

UsesIt is considered as a more reactive reagent than Chlorotriphenyl-methane, for the preparation of trityl esters. It is also used in one-pot conversion of amino acids to their N-trityl derivatives involving N,O-ditritylation and selective methanolysis of the trityl ester.