Basic information
- CAS
1989-53-3- Standard SMILES
COc1cccc(OC)c1C(=O)Cl- InChIKey
NDXRPDJVAUCBOH-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.02402183
Names & identifiers
- Preferred name
- 2,6-Dimethoxybenzoyl chloride
- IUPAC
- 2,6-dimethoxybenzoyl chloride
- English name
- 2,6-Dimethoxybenzoyl chloride
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
2,6-Dimethoxybenzoyl chloride1989-53-3Benzoyl chloride, 2,6-dimethoxy-2,6-Dimethoxybenzoic acid chloride9VD6YG0B0CEINECS 217-868-3DTXSID1062099RefChem:445628DTXCID0036180217-868-326-Dimethoxybenzoyl chlorideMFCD00000665
Show more names
AKOS BBS-000039172,6-DimethoxybenzoyL2,6-dimethoxy-benzoylchlorid2,6-Dimethoxybenzoyl chloride,95%2,6-Dimethoxybenzoyl chloride, 98+%2,6-DIMETHOXYBENZOYL CHLORIDE, TECH., 80%2,6-DiMethoxybenzoyl chloride 80%, technical grade
UNII-9VD6YG0B0C2,6dimethoxybenzoyl chloride2,6-DimethoxybenzoylchlorideSCHEMBL1046672,6-dimethoxylbenzoyl chloride2,6-dimethoxy benzoyl chloride2,6-Dimethoxy-benzoyl chlorideSTR03400
Database identifiers
- CAS
1989-53-3- PubChem CID
- 74810
- DTXSID
DTXSID1062099- UNII
- 9VD6YG0B0C
- EC Number
- 217-868-3
- Nikkaji
- J32.751D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 64 · 64-66 °C(lit.)
- Boiling point
- 125 · 125-132 °C(Press: 0.2 Torr)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- Sensitive
- Moisture Sensitive
- BRN
- 881245 · 881245
- InChI
- 1S/C9H9ClO3/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3
- InChIKey
- NDXRPDJVAUCBOH-UHFFFAOYSA-N
- SMILES
- COc1cccc(OC)c1C(Cl)=O
- CAS DataBase Reference
- 1989 · 1989-53-3(CAS DataBase Reference)
- FDA UNII
- 9 VD6YG0B0C · 9VD6YG0B0C
- EPA Substance Registry System
- 2 · Benzoyl chloride, 2,6-dimethoxy- (1989-53-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29189990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- 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)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoyl chloride, 2,6-dimethoxy-: ACTIVE
Applications
Uses2,6-Dimethoxybenzoyl chloride has been used in the preparation of:2,6-dimethoxyphenylpenicillindidechloro-OO-dimethylpyoluteorin
Suppliers45 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
Related reactions
153 records
Compound notes
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