Methyl 3-aminomethylbenzoate HCl

Modify Date: 2026-07-10 16:46:40

Methyl 3-aminomethylbenzoate HCl Structure
Methyl 3-aminomethylbenzoate HCl structure
Common Name Methyl 3-aminomethylbenzoate HCl
CAS Number 17841-68-8 Molecular Weight 201.650
Density N/A Boiling Point 279.8ºC at 760mmHg
Molecular Formula C9H12ClNO2 Melting Point 179-181ºC
MSDS N/A Flash Point 139ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name methyl 3-(aminomethyl)benzoate,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Boiling Point 279.8ºC at 760mmHg
Melting Point 179-181ºC
Molecular Formula C9H12ClNO2
Molecular Weight 201.650
Flash Point 139ºC
Exact Mass 201.055649
PSA 52.32000
LogP 2.43420
Vapour Pressure 0.00393mmHg at 25°C
Index of Refraction 1.543
InChIKey UOWRPTFJISFGPI-UHFFFAOYSA-N
SMILES COC(=O)c1cccc(CN)c1.Cl

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: 3-Aminomethylbenzoic acid methyl ester hydrochloride Material Safety Data Sheet
Synonym:
CAS: 17841-68-8
Section 1 - Chemical Product MSDS Name:3-Aminomethylbenzoic acid methyl ester hydrochloride Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17841-68-8 3-Aminomethylbenzoic acid methyl ester 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17841-68-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: White
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 177 - 179 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H11NO2.HCl
Molecular Weight: 201.65

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17841-68-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Aminomethylbenzoic acid methyl ester hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if
swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 17841-68-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17841-68-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17841-68-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xn: Harmful;
Risk Phrases R21/22;R36/37/38
Safety Phrases 22-26-36/37/39
HS Code 2922499990

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

methyl 3-(aminomethyl)benzoate,chloride
Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1)
3-Aminomethyl-benzoic acid methyl ester hydrochloride
3-Aminomethylbenzoic acid methyl ester hydrochloride
Methyl 3-(aminomethyl)benzoate Hydrochloride
MFCD04039173
Methyl 3-(aminomethyl)benzoate hydrochloride (1:1)
Methyl 3-aminomethylbenzoate HCl

 Methyl 3-aminomethylbenzoate HCl | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: Polar surface area (PSA) of methyl 3-(aminomethyl)benzoate,hydrochloride is 52.32000.
Q: What is the LogP of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: LogP of methyl 3-(aminomethyl)benzoate,hydrochloride is 2.43420.
Q: What is the InChIKey of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: InChIKey of methyl 3-(aminomethyl)benzoate,hydrochloride is UOWRPTFJISFGPI-UHFFFAOYSA-N.
Q: What English synonyms does methyl 3-(aminomethyl)benzoate,hydrochloride have?
A: English synonyms of methyl 3-(aminomethyl)benzoate,hydrochloride: methyl 3-(aminomethyl)benzoate,chloride, Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1), 3-Aminomethyl-benzoic acid methyl ester hydrochloride, 3-Aminomethylbenzoic acid methyl ester hydrochloride, Methyl 3-(aminomethyl)benzoate Hydrochloride, MFCD04039173, Methyl 3-(aminomethyl)benzoate hydrochloride (1:1), Methyl 3-aminomethylbenzoate HCl.
Q: What is the molecular weight of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: Molecular weight of methyl 3-(aminomethyl)benzoate,hydrochloride is 201.650.
Q: What is the molecular formula of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: Molecular formula of methyl 3-(aminomethyl)benzoate,hydrochloride is C9H12ClNO2.
Q: What is the CAS number of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: CAS number of methyl 3-(aminomethyl)benzoate,hydrochloride is 17841-68-8.
Q: What is the melting point of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: Melting point of methyl 3-(aminomethyl)benzoate,hydrochloride is 179-181ºC.
Q: What is the SMILES notation of methyl 3-(aminomethyl)benzoate,hydrochloride?
A: SMILES notation of methyl 3-(aminomethyl)benzoate,hydrochloride is COC(=O)c1cccc(CN)c1.Cl.
Q: What is the safety information for methyl 3-(aminomethyl)benzoate,hydrochloride?
A: Safety information for methyl 3-(aminomethyl)benzoate,hydrochloride: 22-26-36/37/39.

 Methyl 3-aminomethylbenzoate HClfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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