Basic information
- CAS
515847-71-9- Standard SMILES
COc1cc(C#N)cc(Br)c1OC(C)=O- InChIKey
NNJNHFOLUWPTMF-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- 2-Bromo-4-cyano-6-methoxyphenyl acetate
- IUPAC
- (2-bromo-4-cyano-6-methoxyphenyl) acetate
- English name
- 2-Bromo-4-cyano-6-methoxyphenyl acetate
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
2-Bromo-4-cyano-6-methoxyphenyl acetate515847-71-9DTXSID50352804RefChem:257190DTXCID80303869(2-bromo-4-cyano-6-methoxyphenyl) acetateMFCD022565313-BROMO-5-METHOXY-4-ACETOXYBENZONITRILEOTAVA-BB BB70189300222-BROMO-4-CYANO-6-METHOXYPHENYLACETATEAcetic Acid 2-Bromo-4-Cyano-6-Methoxy-Phenyl EsterF3099-6745
Show more names
(2-bromo-4-cyano-6-methoxy-phenyl) ethanoate4-Acetoxy-3-broMo-5-Methoxybenzonitrile, 98%Benzonitrile, 4-(acetyloxy)-3-bromo-5-methoxy-
AKOS B004850ALBB-008950BBL013656SBB016325STK397365AKOS000273731SDCCGSBI-0661325.P0014-Acetoxy-3-bromo-5-methoxybenzonitrile
Database identifiers
- CAS
515847-71-9- PubChem CID
- 735528
- DTXSID
DTXSID50352804- EC Number
- 678-744-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- form
- solid
- InChI
- 1S/C10H8BrNO3/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-4H,1-2H3
- InChIKey
- NNJNHFOLUWPTMF-UHFFFAOYSA-N
- SMILES
- Brc1c(c(cc(c1)C#N)OC)OC(=O)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- RIDADR
- 3439 · UN3439
- WGK Germany
- 3 · WGK 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- Storage Class
- 11 · 11 - Combustible Solids
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- wgk
- WGK 3
- ridadr
- UN3439
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [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]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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