3-Methoxy-4-methylaniline

HCID 27882

Basic information

CAS
16452-01-0
Standard SMILES
COc1cc(N)ccc1C
InChIKey
ONADZNBSLRAJFW-UHFFFAOYSA-N
Molecular formula
C8H11NO
Average molar mass
137.18 g/mol
Monoisotopic mass
137.08406397

Overview

O-cresidine is a brown chunky solid. (NTP, 1992)

Names & identifiers

Preferred name
3-Methoxy-4-methylaniline
IUPAC
3-methoxy-4-methylaniline
English name
3-Methoxy-4-methylaniline
Molecular formula
C8H11NO
Molecular weight
137.18

Names & synonyms

3-Methoxy-4-methylanilineBenzenamine, 3-methoxy-4-methyl-O-CRESIDINECCRIS 4606EINECS 240-500-8DTXSID9024855UNII-V82SCC5X3QV82SCC5X3Q4-METHYL-M-ANISIDINEBRN 0742602(3-METHOXY-4-METHYLPHENYL)AMINE4-AMINO-2-METHOXYTOLUENE
Show more names
ORTHO-CRESIDINE2-METHYL-5-ANISIDINE5-AMINO-2-METHYLANISOLE2-METHOXY-4-AMINOTOLUENE4-Methyl-m-anisidine (NH2=1)3-METHOXY-4-METHYLBENZENAMINE
CRESIDINE, O-4-methyl-3-methoxyanilineDTXCID504855M-ANISIDINE, 4-METHYL-4-13-00-01666 (Beilstein Handbook Reference)3-METHOXY-P-TOLUIDINERefChem:945874-AMINO-6-METHOXYTOLUENE

Database identifiers

CAS
16452-01-0
PubChem CID
27882
DTXSID
DTXSID9024855
ChEMBL
CHEMBL3188424
UNII
V82SCC5X3Q
EC Number
240-500-8
Nikkaji
J141.483F

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 59 °F (NTP, 1992)
Flash Pointgreater than 235 °F (NTP, 1992)
Boiling Point482 to 486 °F at 760 mmHg (NTP, 1992)
Melting Point124 to 129 °F (NTP, 1992)
Physical DescriptionO-cresidine is a brown chunky solid. (NTP, 1992)

Physicochemical properties

Melting point
57 · 57-59 °C
Boiling point
252.03 °C · 252.03°C (rough estimate)
Density
1.063 · 1.0630 (rough estimate)
refractive index
1.5647 · 1.5647 (estimate)
Flash point
113 ℃ · >113℃
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzenamine, 3-methoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include drowsiness, skin and eye irritation, nausea, vomiting, weakness, somnolence, methemoglobinemia, liver damage, unconsciousness, and cyanosis.
Reactive GroupAmines, Aromatic
Reactivity Profile · 1 item

O-CRESIDINE neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. Reacts with oxidizing agents (NTP, 1992).

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Safety data

wgk
3
rtecs
CY0888000
ridadr
UN2811
hs_code
2922500090
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses3-Methoxy-4-methylaniline, afforded by an electrophilic substitution, using the 2-methoxy-substituted iron complex sail followed by oxidative cyclization with concomitant aromation of the resulting iron complex. It is used to produce 8-methoxy-7-methylalloxazine. This reaction will need solvent ethanol, H2O

General DescriptionBrown chunky solid.

Suppliers91 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Related reactions

35 records

Compound notes

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