Basic information
- CAS
21988-87-4- Standard SMILES
Cc1c(CBr)c(C)c(CBr)c(C)c1CBr- InChIKey
BHIFXIATEXVOQA-UHFFFAOYSA-N- Molecular formula
- C12H15Br3
- Average molar mass
- 398.96 g/mol
- Monoisotopic mass
- 395.87239
Overview
alkylating agent
Names & identifiers
- Preferred name
- 1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene
- IUPAC
- 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
- English name
- 2,4,6-Tris(bromomethyl)mesitylene
- Molecular formula
- C12H15Br3
- Molecular weight
- 398.96
Names & synonyms
21988-87-42,4,6-Tris(bromomethyl)mesitylene1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzeneDTXSID70176408RefChem:443008DTXCID0098899244-697-1MFCD00192554EINECS 244-697-1SCHEMBL2583951,3,5-Tris(Bromomethyl)-2,4,6-TriMethyl-BenzeneDS-16599
Show more names
JACS-21988-87-42,4,6-Tris(bromometh2,4,6-Tris(brommethyl)mesitylen2,4,6-tribromethyltrimethylbenzene2,4,6-Tris(bromomethyl)mesitylene 98%2,4,6-Tribromomethyl-1,3,5-trimethylbenzene1,3,5-tris(brommethyl)-2,4,6-trimethylbenzol
2,4,6-Tris(bromomethyl)mesitylene, 98%1,3,5-tris(bromomethyl)-2,4,6-trimethyl benzeneYSZC576BCP19671Benzene, 1,3,5-tris(bromomethyl)-2,4,6-trimethyl-AM85669PMOC2A846508
Database identifiers
- CAS
21988-87-4- PubChem CID
- 89140
- DTXSID
DTXSID70176408- EC Number
- 244-697-1
- Nikkaji
- J225.502B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 187 · 187-189 °C (lit.)
- Boiling point
- 399.8 · 399.8±37.0 °C(Predicted)
- Density
- 1.759 · 1.759±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C12H15Br3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3
- InChIKey
- BHIFXIATEXVOQA-UHFFFAOYSA-N
- SMILES
- C1(CBr)=C(C)C(CBr)=C(C)C(CBr)=C1C
- CAS DataBase Reference
- 21988 · 21988-87-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C,Xi
- Risk Statements
- 20 · 20/21/22-34
- Safety Statements
- 22 · 22-26-27-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2903998090 · 2903998090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
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
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (97.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2903998090
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 22-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302+H312+H332-H314
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Tribromomethyltrimethylbenzene is used as an organic building block and a general reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
石家庄欧特佳化工有限公司0311-87795622 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海翱跃化工科技有限公司021-021-64367138 15900495324 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海湄水化工科技有限公司021-60549325 18616193163
上海楷树化学科技有限公司021-51987688-803 18916626396 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
4 records
Compound notes
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