CAS 443-86-7 3-Fluoro-2-methylaniline (HCID 285553)

Names & identifiers

Preferred name: 3-Fluoro-2-methylaniline
IUPAC: 3-fluoro-2-methylaniline
English name: 3-Fluoro-2-methylaniline
Molecular formula: C7H8FN
Molecular weight: 125.14

Names & synonyms

3-Fluoro-2-methylaniline443-86-73-Fluoro-o-toluidine3-FLUORO-2-METHYL-ANILINE6-Amino-2-fluorotolueneW95WMY5PM6EINECS 207-142-41-amino-3-fluoro-2-methylbenzeneDTXSID20196111RefChem:501642DTXCID30118602207-142-4

Show more names

3-Fluoro-2-methylani3-Fluoro-2-methylaniline99%3-Fluoro-2-methylaniline>3-Fluoro-2-methylaniline 99%3-Fluoro-2-methylaniline,97%

2-fluoro-6-aminotoluene2-Amino-6-fluorotolueneBenzenamine, 3-fluoro-2-methyl-MFCD000077603-fluoro-2-methylphenylamine2-methyl-3-fluoroanilineUNII-W95WMY5PM6Orforglipron impurity 25

Database identifiers

CAS: 443-86-7
PubChem CID: 285553
DTXSID: DTXSID20196111
UNII: W95WMY5PM6
EC Number: 207-142-4
Nikkaji: J196.131D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: 7 °C · 7 °C (lit.)
Boiling point: 89 · 89-91 °C/15 mmHg (lit.)
Density: 1.099 g/mL · 1.099 g/mL at 25 °C (lit.)
refractive index: 1.542 · 1.542-1.544
Flash point: 86 °C · 86 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Methanol (Slightly)
form: Oil
pka: 3.44 · 3.44±0.10(Predicted)
color: Pale Yellow to Dark Red
Specific Gravity: 1.099 · 1.099
Stability: Air Sensitive
InChI: InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
InChIKey: SLDLVGFPFFLYBM-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(F)=C1C
CAS DataBase Reference: 443 · 443-86-7(CAS DataBase Reference)
FDA UNII: 95 WMY5PM6 · W95WMY5PM6
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xi,Xn
Risk Statements: 36 · 36/37/38-23/24/25-20/21/22
Safety Statements: 45 · 45-36/37/39-26-36/37-36
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
Hazard Note: Toxic/Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214300 · 29214300
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 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 CategoriesAcute Tox. 4 (97.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 2810
hs_code: 29214300
risk_code: 36/37/38-23/24/25-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T,Xi,Xn
hazard_note: Toxic/Irritant
safety_code: 45-36/37/39-26-36/37-36
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses3-Fluoro-2-methylaniline was used in the synthesis of 2-amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline.

Upstream & downstream products

Upstream raw materials

Downstream products

2,6-Difluorotoluene 4-Fluoro (1H)indazole 3-Fluoroacetanilide 1-Fluoro-3-isocyanato-2-methyl-benzene (3-Fluoro-2-methyl-phenyl)-carbamic acid tert-butyl ester

Suppliers100 total

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

阜新孚隆宝医药科技有限公司15901742157 · [email protected]

Related reactions

50 records

New reaction record

HRID 61269As reactantuspto-grants-2016_09

HRID 63166As reactantuspto-grants-2016_09

HRID 87042As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96386As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105382As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114412As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 196871As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 291773As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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Basic information