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Basic information
- CAS
16076-27-0- Standard SMILES
Clc1nc(Br)[nH]c1Cl- InChIKey
SULQOTGFPPFUMG-UHFFFAOYSA-N- Molecular formula
- C3HBrCl2N2
- Average molar mass
- 215.86 g/mol
- Monoisotopic mass
- 213.87001549
Names & identifiers
- Preferred name
- 2-Bromo-4,5-dichloro-1H-imidazole
- IUPAC
- 2-bromo-4,5-dichloro-1H-imidazole
- English name
- 2-Bromo-4,5-dichloro-1H-imidazole
- Molecular formula
- C3HBrCl2N2
- Molecular weight
- 215.86
Names & synonyms
2-Bromo-4,5-dichloro-1H-imidazoleRefChem:466379624-543-316076-27-02-Bromo-4,5-dichloroimidazole1H-Imidazole, 2-bromo-4,5-dichloro-Imidazole, 2-bromo-4,5-dichloro-MFCD00067894W4VL672K4JNSC-226574C3HBrCl2N2NSC 226574
Show more names
BUTTPARK 29\04-872-Bromine-4,5-Dichloroimidazole
BRN 06067322-bromo-4,5-dichloro-imidazol2-bromo-4,5-dichloro-imidazoleNSC226574Imidazole,5-dichloro-1H-Imidazole,5-dichloro-UNII-W4VL672K4J5-23-04-00463 (Beilstein Handbook Reference)
Database identifiers
- CAS
16076-27-0- PubChem CID
- 99484
- DTXSID
DTXSID80166976- ChEMBL
CHEMBL360417- UNII
- W4VL672K4J
- EC Number
- 624-543-3
- Nikkaji
- J86.804C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.4
Physicochemical properties
- Melting point
- 223 °C · 223 °C (dec.) (lit.)
- Boiling point
- 350.8 · 350.8±45.0 °C(Predicted)
- Density
- 2.135 · 2.135±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- 6.32 · 6.32±0.10(Predicted)
- color
- White to off-white
- BRN
- 606732 · 606732
- InChI
- 1S/C3HBrCl2N2/c4-3-7-1(5)2(6)8-3/h(H,7,8)
- InChIKey
- SULQOTGFPPFUMG-UHFFFAOYSA-N
- SMILES
- Clc1nc(Br)[nH]c1Cl
- CAS DataBase Reference
- 16076 · 16076-27-0(CAS DataBase Reference)
- FDA UNII
- 4 VL672K4J · W4VL672K4J
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- NI3517500
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933299090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
Chemistry & industry
Applications
Uses2-Bromo-4,5-dichloroimidazole may be used in the synthesis of 1-methoxymethyl-2-bromo-4,5-dichloroimidazole, which shows potent insecticidal activity. It may also be used to synthesize 2-substituted 4,5-dichloroimidazoles, via a novel approach that avoids the need for N-protection.
General Description2-Bromo-4,5-dichloroimidazole is a halogenated imidazole derivative that can be prepared via bromination of 4,5-dichloroimidazole using bromine.
Suppliers31 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
9 records
Compound notes
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