Basic information
- CAS
2146-61-4- Standard SMILES
COc1cccc(CCBr)c1- InChIKey
LQDHVNHVHAYANB-UHFFFAOYSA-N- Molecular formula
- C9H11BrO
- Average molar mass
- 215.09 g/mol
- Monoisotopic mass
- 213.99932707
Names & identifiers
- Preferred name
- 1-Bromo-2-(3-methoxyphenyl)ethane
- IUPAC
- 1-(2-bromoethyl)-3-methoxybenzene
- English name
- 3-METHOXYPHENETHYL BROMIDE
- Molecular formula
- C9H11BrO
- Molecular weight
- 215.09
Names & synonyms
3-Methoxyphenethyl bromide2146-61-41-Bromo-2-(3-methoxyphenyl)ethaneDTXSID40175741RefChem:430213DTXCID3098232627-639-31-(2-Bromoethyl)-3-methoxybenzene1-(2-Bromo-ethyl)-3-methoxy-benzeneC9H11BrOMFCD07369789Anisole, m-(2-bromoethyl)-
Show more names
m-Methoxyphenylethyl bromide3-Methoxyphenethyl broMide 97%1-(2-Bromoethyl)-3-methoxybenzene - [B92654]
Benzene, 1-(2-bromoethyl)-3-methoxy-3-(2-Bromoethyl)anisole3-(2-bromoethyl)-1-methoxybenzene3-METHOXYPHENETHYLBROMIDE7285ADm-methoxyphenethylbromidem-Methoxyphenethyl bromide3-Methoxyphenylethylbromide
Database identifiers
- CAS
2146-61-4- PubChem CID
- 137450
- DTXSID
DTXSID40175741- EC Number
- 627-639-3
- Nikkaji
- J105.289F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 172 · 172-209 °C (DSC)(lit.)
- Density
- 1.3708 g/mL · 1.3708 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5593(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C9H11BrO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6H2,1H3
- InChIKey
- LQDHVNHVHAYANB-UHFFFAOYSA-N
- SMILES
- COc1cccc(CCBr)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34-52/53
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 2 · 2
- HazardClass
- 8 · 8
- HS Code
- 2909309090 · 2909309090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2909309090
- risk_code
- 22-34-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers39 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
济南明觉生物医药科技有限公司15628895690 · [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]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
苏州求索生物科技有限公司0512-67862615 13382151840 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
苏州沃尔森生物科技有限公司18934576691 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
34 records
Compound notes
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