4-Fluoro-2-methylaniline

HCID 67982CAS 452-71-1

Basic information

Standard SMILES
Cc1cc(F)ccc1N
InChIKey
KMHLGVTVACLEJE-UHFFFAOYSA-N
Molecular formula
C7H8FN
Average molar mass
125.14 g/mol
Monoisotopic mass
125.06407742

Names & identifiers

Preferred name
4-Fluoro-2-methylaniline
IUPAC
4-fluoro-2-methylaniline
English name
4-Fluoro-2-methylaniline
Molecular formula
C7H8FN
Molecular weight
125.14

Names & synonyms

4-Fluoro-2-methylanilineBenzenamine, 4-fluoro-2-methyl-4-Fluoro-o-toluidine4-Fluorotoluidine3-Fluoro-6-aminotolueneP7D3BF9SJMEINECS 207-208-2NSC 88300BRN 1931798NSC-88300DTXSID60600084-12-00-01786 (Beilstein Handbook Reference)
Show more names
2-Fluoro-o-toluidine4-Fluoro-2-methylanio-Toluidine, 4-fluoro-6-Amino-3-fluorotoluene
RefChem:98959DTXCID9040390207-208-2KMHLGVTVACLEJE-UHFFFAOYSA-N452-71-12-Amino-5-fluorotoluene2-Methyl-4-fluoroaniline4-Fluoro-2-methylbenzenamine

Database identifiers

CAS
452-71-1
PubChem CID
67982
DTXSID
DTXSID6060008
UNII
P7D3BF9SJM
EC Number
207-208-2
Nikkaji
J149.713H

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
14.2 °C · 14.2°C
Boiling point
90 · 90-92 °C/16 mmHg (lit.)
Density
1.126 g/mL · 1.126 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.537(lit.)
Flash point
190 °F · 190 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (89.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 CategoriesAcute Tox. 4 (98%);Acute Tox. 3 (10.2%);Acute Tox. 4 (89.8%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (98%);STOT SE 3 (89.8%);STOT RE 2 (10.2%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
CY0500000
ridadr
2810
hs_code
29214300

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-fluoro-2-methyl-: INACTIVE

Applications

Uses4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.

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]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Related reactions

138 records

Linked notes

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