Basic information
- CAS
613-53-6- Standard SMILES
BrC(Br)(Br)c1ccc2ccccc2n1- InChIKey
UDYYQHILRSDDMP-UHFFFAOYSA-N- Molecular formula
- C10H6Br3N
- Average molar mass
- 379.87 g/mol
- Monoisotopic mass
- 376.80504
Names & identifiers
- Preferred name
- Quinoline, 2-(tribromomethyl)-
- IUPAC
- 2-(tribromomethyl)quinoline
- English name
- alpha,alpha,alpha-Tribromoquinaldine
- Molecular formula
- C10H6Br3N
- Molecular weight
- 379.87
Names & synonyms
2-(Tribromomethyl)quinoline613-53-6alpha,alpha,alpha-TribromoquinaldineQuinoline, 2-(tribromomethyl)-NSC 610EINECS 210-347-12-Tribromo-methyl-quinoline.alpha.,.alpha.,.alpha.-TribromoquinaldineDTXSID7060623UDYYQHILRSDDMP-UHFFFAOYSA-.omega. .omega. .omega.-TribromoquinaldineRefChem:178246
Show more names
2-(Tribromomethyl)à,à,à-tribromoquinaldineW,W,W-TRIBROMOQUINALDINE2-(tribromomethyl)-quinolinɑ,ɑ,ɑ-Tribromoquinaldine, 97%^a,^a,^a-Tribromoquinaldine, 97%OMEGA,OMEGA,OMEGA-TRIBROMOQUINALDINE
DTXCID0043004omega omega omega-TribromoquinaldineInChI=1/C10H6Br3N/c11-10(12,13)9-6-5-7-3-1-2-4-8(7)14-9/h1-6HUDYYQHILRSDDMP-UHFFFAOYSA-N2-TribromomethylquinolineMFCD000067552-(alpha,alpha,alpha-Tribromomethyl)quinolineC10H6Br3N
Database identifiers
- CAS
613-53-6- PubChem CID
- 69178
- DTXSID
DTXSID7060623- EC Number
- 210-347-1
- Nikkaji
- J136.522C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 127 · 127-131 °C
- Boiling point
- 365.6 · 365.6±37.0 °C(Predicted)
- Density
- 2.4706 · 2.4706 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 2.34 · 2.34±0.61(Predicted)
- form
- powder to crystal
- color
- White to Gray to Brown
- BRN
- 147638 · 147638
- CAS DataBase Reference
- 613 · 613-53-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Quinoline, 2-(tribromomethyl)- (613-53-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 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 (100%)
Safety data
- tsca
- TSCA listed
- rtecs
- VC3250750
- hs_code
- 2933.49.7000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationQuinoline, 2-(tribromomethyl)-: INACTIVE
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广州市金华大化学试剂有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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