m-Anisoyl chloride (HCID 74374)

Names & identifiers

Preferred name: m-Anisoyl chloride
IUPAC: 3-methoxybenzoyl chloride
English name: 3-Methoxybenzoyl chloride
Molecular formula: C8H7ClO2
Molecular weight: 170.59

Names & synonyms

3-Methoxybenzoyl chloridem-Anisoyl chloridem-Methoxybenzoyl chlorideBenzoyl chloride, 3-methoxy-Benzoyl chloride, m-methoxy-EINECS 216-975-2DTXSID10169011RefChem:154859DTXCID6091502216-975-2RUQIUASLAXJZIE-UHFFFAOYSA-N1711-05-3

Show more names

3-MethoxybenzoyLAKOS BBS-000039143-METHOXYBENZOYL CHLm-Anisoyl chloride,99%3-Methoxybenzyl Chlorid3-Methoxybenzol chloride

3-anisoyl chlorideMFCD000006733-methoxybenzoylchlorideMM9WQ3B2N6m-anisic acid chloride3-Methoxybenzoic acid chloridem-anisoylchloride3-Anisoylchlorid

Database identifiers

CAS: 1711-05-3
PubChem CID: 74374
DTXSID: DTXSID10169011
UNII: MM9WQ3B2N6
EC Number: 216-975-2
Nikkaji: J7.569H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Boiling point: 123 · 123-125 °C15 mm Hg(lit.)
Density: 1.214 g/mL · 1.214 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.558(lit.)
Flash point: 198 °F · 198 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Liquid
Specific Gravity: 1.214 · 1.214
color: Clear colorless to light yellow
Water Solubility: Soluble in chloroform. Reacts with water.
Sensitive: Moisture Sensitive
BRN: 386659 · 386659
InChI: 1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey: RUQIUASLAXJZIE-UHFFFAOYSA-N
SMILES: COc1cccc(c1)C(Cl)=O
CAS DataBase Reference: 1711 · 1711-05-3(CAS DataBase Reference)
FDA UNII: 9 WQ3B2N6 · MM9WQ3B2N6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 1729 · UN 1729 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29147000 · 29147000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
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

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 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

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1729 8/PG 2
hs_code: 29147000
risk_code: 34-36/37
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
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H335
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: Eye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Methoxybenzoyl chloride is used in the synthesis of 2-arylbenzofuran-based molecules that act against Alzheimers disease, combatting symptoms. In addition, it aids in the optimization of dihydropyrrolopyrimidine inhibitors against PI3K (phosphoinositide 3-kinase) resulting in tumor growth inhibition.

Upstream & downstream products

Downstream products

7-Methoxy-isoquinolin-1(2H)-one 3-Methoxybenzoylacetonitrile rac-4-(3'-Methoxy-α-chlorobenzyl)-N,N-diethylbenzamide SNC 80 3-Hydroxybenzophenone N-(2-Chloroethyl)-3-methoxybenzamide 2-(3-Methoxybenzoyl)benzoic acid 3-[(3-Methoxybenzoyl)amino]propanoic acid [1,2,4]Triazolo[1,5-a]pyridine, 7-bromo-2-(3-methoxyphenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methoxybenzamide

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

338 records

New reaction record

HRID 2415As reactantuspto-grants-1998_03

HRID 2419As reactantuspto-grants-1998_03

HRID 21074As reactantuspto-grants-2010_06

HRID 28692As reactantuspto-grants-2008_09

HRID 29937As reactantuspto-grants-2008_09

HRID 45358As reactantuspto-grants-2013_09

HRID 54550As reactantuspto-grants-1997_04

HRID 88010As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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Basic information