3-Chloroanisole

HCID 17833CAS 2845-89-8

Basic information

Standard SMILES
COc1cccc(Cl)c1
InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N
Molecular formula
C7H7ClO
Average molar mass
142.58 g/mol
Monoisotopic mass
142.0185425

Names & identifiers

Preferred name
3-Chloroanisole
IUPAC
1-chloro-3-methoxybenzene
English name
3-Chloroanisole
Molecular formula
C7H7ClO
Molecular weight
142.58

Names & synonyms

3-Chloroanisole2845-89-8Benzene, 1-chloro-3-methoxy-HQ8W659XSKDTXSID7062667RefChem:93501DTXCID9037820220-642-71-CHLORO-3-METHOXYBENZENEm-ChloroanisoleAnisole, m-chloro-1-chloro-3-methoxy-benzene
Show more names
1-chloro-3-methoxy-benzenm-chlorophenylmethyletheroroanisoL3-Chloroanisole>
MFCD000005913-Chloromethoxybenzene3-methoxyphenyl chloride3-chloroanisol20032-78-4meta-Chloroanisole3-anisolyl chlorideEINECS 220-642-7

Database identifiers

CAS
2845-89-8
PubChem CID
17833
DTXSID
DTXSID7062667
UNII
HQ8W659XSK
EC Number
220-642-7
Nikkaji
J5.167E

Properties

Computed structural properties

XLogP
3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1072;1081;1084;1080;1085;1092;1068

1110.8;1126

1582;1588;1604;1618;1623;1628

Physicochemical properties

Melting point
25 °C · 25°C
Boiling point
193 °C · 193 °C (lit.)
Density
1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.536(lit.)
Flash point
164 °F · 164 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids];H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (20%);Acute Tox. 4 (20%);Acute Tox. 4 (20%);Skin Irrit. 2 (80%);Eye Irrit. 2A (80%);Acute Tox. 4 (20%);STOT SE 3 (80%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29093090
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-: INACTIVE

Applications

Uses3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.

General DescriptionOne-step preparation of 3-chloroanisole from the corresponding 3-substituted nitrobenzene has been reported.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Related reactions

24 records

Linked notes

Loading…