Basic information
- CAS
2946-17-0- Standard SMILES
COc1ccc2[se]c(C)nc2c1- InChIKey
LVIYTMFDCXRSDL-UHFFFAOYSA-N- Molecular formula
- C9H9NOSe
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 226.98494
Names & identifiers
- Preferred name
- 2-Methyl-5-methoxybenzoselenazole
- IUPAC
- 5-methoxy-2-methyl-1,3-benzoselenazole
- English name
- 5-METHOXY-2-METHYLBENZOSELENAZOLE
- Molecular formula
- C9H9NOSe
- Molecular weight
- 226.13
Names & synonyms
2946-17-05-Methoxy-2-methylbenzoselenazoleBenzoselenazole, 5-methoxy-2-methyl-2-Methyl-5-methoxybenzoselenazoleXBH17NOG6UEINECS 220-956-4NSC 366221NSC-366221DTXSID3062736RefChem:475708DTXCID4038001220-956-4
Show more names
LABOTEST-BB LT004517425-methoxy-2-methyl-benzoselenazol5-Methoxy-2-methylbenzoseleneazole5-Methoxy-2-methylbenzoselenazole>5-Methoxy-2-methylbenzselenazole,97%
5-Methoxy-2-methyl-1,3-benzoselenazole5-Methoxy-2-methylbenzo[d][1,3]selenazole5-Methoxy-2-methylbenzselenazoleMFCD00005558NSC366221UNII-XBH17NOG6UDYJ-Se-3SCHEMBL4404506
Database identifiers
- CAS
2946-17-0- PubChem CID
- 76274
- DTXSID
DTXSID3062736- UNII
- XBH17NOG6U
- EC Number
- 220-956-4
- Nikkaji
- J38.309K
Properties
Computed structural properties
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 115 · 115-117 °C1 mm Hg(lit.)
- Density
- 1.491 g/mL · 1.491 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.639(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 5.58 · 5.58±0.50(Predicted)
- Exposure limits
- 0.2 mg/m3NIOSH: · ACGIH: TWA 0.2 mg/m3NIOSH: IDLH 1 mg/m3; TWA 0.2 mg/m3
- CAS DataBase Reference
- 2946 · 2946-17-0(CAS DataBase Reference)
- FDA UNII
- 17 NOG6U · XBH17NOG6U
- EPA Substance Registry System
- 5 · Benzoselenazole, 5-methoxy-2-methyl- (2946-17-0)
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H330-H301+H331-H373-H410-H301-H331-H400
- Precautionary statements
- 260 · P260-P264-P270-P271-P284-P301+P310+P330-P304+P340+P310-P314-P391-P403+P233-P405-P301+P310a-P304+P340-P311a-P501a-P261-P273-P301+P310-P311-P501
- Hazard Codes
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, 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 CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29310099
- risk_code
- 23/25-33-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 20/21-28-45-60-61
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300+H330-H301+H331-H373-H410-H301-H331-H400
- Precautionary statements
- P260-P264-P270-P271-P284-P301+P310+P330-P304+P340+P310-P314-P391-P403+P233-P405-P301+P310a-P304+P340-P311a-P501a-P261-P273-P301+P310-P311-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoselenazole, 5-methoxy-2-methyl-: INACTIVE
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [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]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司
Related reactions
3 records
Compound notes
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