Basic information
- CAS
3138-86-1- Standard SMILES
BrCc1nc2ccccc2nc1CBr- InChIKey
LHKFFORGJVELPC-UHFFFAOYSA-N- Molecular formula
- C10H8Br2N2
- Average molar mass
- 315.99 g/mol
- Monoisotopic mass
- 313.90542246
Names & identifiers
- Preferred name
- 2,3-Bis(bromomethyl)quinoxaline
- IUPAC
- 2,3-bis(bromomethyl)quinoxaline
- English name
- 2,3-Bis(bromomethyl)quinoxaline
- Molecular formula
- C10H8Br2N2
- Molecular weight
- 315.99
Names & synonyms
2,3-Bis(bromomethyl)quinoxalineQUINOXALINE, 2,3-BIS(BROMOMETHYL)-2,3-Bis(bromomethyl)-1,4-benzodiazineMK7CU7QW5HEINECS 221-538-4NSC 38602BRN 0137771UNII-MK7CU7QW5HNSC-38602DTXSID30628615-23-07-00271 (Beilstein Handbook Reference)RefChem:81499
Show more names
2,3-BIS-(BROMETHYL)QUINOXALINE2,3-bis(bromomethyl)-quinoxalin2,3-Bis (bromomethyl) quinoline2,3-BIS-(BROMETHYL)-QUINOXALINE98%2,3-Bis(bromomethyl)quinoxaline,98%2,3-Bis-(bromomethyl)quinoxaline, HPLC 98%
DTXCID9038349221-538-4LHKFFORGJVELPC-UHFFFAOYSA-N3138-86-1MFCD000067292,4-benzodiazineNSC38602SCHEMBL1258591
Database identifiers
- CAS
3138-86-1- PubChem CID
- 18449
- DTXSID
DTXSID3062861- UNII
- MK7CU7QW5H
- EC Number
- 221-538-4
- Nikkaji
- J48.368K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 152 · 152-156 °C(lit.)
- Boiling point
- 345.7 · 345.7±37.0 °C(Predicted)
- Density
- 1.7904 · 1.7904 (rough estimate)
- refractive index
- 1.704 · 1.7040 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder
- pka
- -1.31 · -1.31±0.48(Predicted)
- Appearance
- Off-white to gray Solid
- InChI
- 1S/C10H8Br2N2/c11-5-9-10(6-12)14-8-4-2-1-3-7(8)13-9/h1-4H,5-6H2
- InChIKey
- LHKFFORGJVELPC-UHFFFAOYSA-N
- SMILES
- BrCc1nc2ccccc2nc1CBr
- FDA UNII
- 7 CU7QW5H · MK7CU7QW5H
- EPA Substance Registry System
- 2 · Quinoxaline, 2,3-bis(bromomethyl)- (3138-86-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
- Precautionary statements
- 260 · P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 1420000 · VD1420000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 18 mg/kg CSLNX* NX#02400
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VD1420000
- ridadr
- UN 3261 8/PG 2
- Toxicity
- LD50 ivn-mus: 18 mg/kg CSLNX* NX#02400
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H335
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoxaline, 2,3-bis(bromomethyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers58 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
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Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
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聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
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嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
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上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
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上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
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Related reactions
2 records
Compound notes
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