CAS 2034-22-2 2,4,5-Tribromoimidazole (HCID 16253)

Overview

induces poisoning typical of uncouplers of oxidative phosphorylation

Names & identifiers

Preferred name: 2,4,5-Tribromoimidazole
IUPAC: 2,4,5-tribromo-1H-imidazole
English name: 2,4,5-Tribromoimidazole
Molecular formula: C3HBr3N2
Molecular weight: 304.77

Names & synonyms

2,4,5-TRIBROMOIMIDAZOLE2034-22-22,4,5-Tribromo-1H-imidazole1H-Imidazole, 2,4,5-tribromo-Imidazole, 2,4,5-tribromo-50V0252S9ANSC-514965DTXSID2022173RefChem:81998DTXCID702173217-997-5MFCD00005184

Show more names

2,4,5-Tribromoimidazole,97%2,4,5-Tribromoimidazole，98%min2,4,5- threebroMinatediMidazole2,4,5-TribroMoiMidazole, 97% 5GR

2,4,5-tribromoimidazotimtec-bb sbb001252EINECS 217-997-52,4,5-tribromo-imidazolNSC 514965BRN 0115314AI3-62059Tribromoimidazole

Database identifiers

CAS: 2034-22-2
PubChem CID: 16253
DTXSID: DTXSID2022173
ChEMBL: CHEMBL363992
UNII: 50V0252S9A
EC Number: 217-997-5
Nikkaji: J49.346E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 88.6

Physicochemical properties

Melting point: 217 · 217-220 °C (dec.) (lit.)
Boiling point: 401.3 · 401.3±48.0 °C(Predicted)
Density: 3.8211 · 3.8211 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
storage temp.: 2 · 2-8°C
form: Powder
pka: 6.32 · 6.32±0.10(Predicted)
color: Beige-yellow
BRN: 115314 · 115314
InChI: 1S/C3HBr3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKey: JCGGPCDDFXIVQB-UHFFFAOYSA-N
SMILES: Brc1nc(Br)c(Br)[nH]1
CAS DataBase Reference: 2034 · 2034-22-2(CAS DataBase Reference)
FDA UNII: 50 V0252S9A · 50V0252S9A
NIST Chemistry Reference: 2 · Imidazole, 2,4,5-tribromo-(2034-22-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300-H311+H331-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 23 · 23/24/25-36/37/38-25
Safety Statements: 22 · 22-26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 8660000 · NI8660000
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29332990 · 29332990
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (97.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 75 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (97.3%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
rtecs: NI8660000
ridadr: UN 2811 6.1/PG 2
hs_code: 29332990
risk_code: 23/24/25-36/37/38-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 22-26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H300-H311+H331-H315-H319-H335
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338