Basic information
- CAS
138-24-9- Standard SMILES
C[N+](C)(C)c1ccccc1.[Cl-]- InChIKey
MQAYPFVXSPHGJM-UHFFFAOYSA-M- Molecular formula
- C9H14N.Cl
- Average molar mass
- 171.67 g/mol
Names & identifiers
- Preferred name
- Phenyltrimethylammonium chloride
- IUPAC
- trimethyl(phenyl)azanium chloride
- English name
- Trimethylphenylammonium chloride
- Molecular formula
- C9H14ClN
- Molecular weight
- 171.67
Names & synonyms
138-24-9Phenyltrimethylammonium chlorideN,N,N-Trimethylanilinium chlorideAmmonyx 200Trimethylanilinium chlorideBenzenaminium, N,N,N-trimethyl-, chloride (1:1)Trimethylphenyl ammonium chloride1886BWR70SDTXSID6051699RefChem:861843DTXCID9030254205-319-0
Show more names
ammonyx200n,n,n-trimethyl-bentrimethylaniliniumchlorideTriMethylphenylaMMoniuM chloridphenyltrimethyl-ammoniuchloridetrimethylphenyl-ammoniuchloride
N,N,N-Trimethylbenzenaminium chlorideTrimethylphenylammonium chlorideBenzenaminium, N,N,N-trimethyl-, chlorideTrimethylphenylammoniumchloridetrimethyl(phenyl)azanium;chlorideMFCD00011790CHEMBL1209421Ammonium, phenyltrimethyl-, chloride
Database identifiers
- CAS
138-24-9- PubChem CID
- 67309
- DTXSID
DTXSID6051699- ChEMBL
CHEMBL1209421- UNII
- 1886BWR70S
- EC Number
- 205-319-0
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.8
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Quaternary Amines
Industrial compound
Physical DescriptionWhite crystalline powder; Hygroscopic; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 246 · 246-248 °C (dec.) (lit.)
- Boiling point
- 283.2 °C · 283.2°C (rough estimate)
- Density
- 1.0683 · 1.0683 (rough estimate)
- bulk density
- 540 kg/m3 · 540kg/m3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.6224 · 1.6224 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: 0.1 g/mL, clear
- form
- Solid
- color
- White crystalline
- PH Range
- 4.5 · 4.5
- PH
- 4.5 · 4.5 (333g/l, H2O, 20℃)
- explosive limit
- 1 · 1-6%(V)
- Water Solubility
- soluble
- Sensitive
- Hygroscopic
- BRN
- 3572527 · 3572527
- InChI
- 1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
- InChIKey
- MQAYPFVXSPHGJM-UHFFFAOYSA-M
- SMILES
- [Cl-].C[N+](C)(C)c1ccccc1
- LogP
- 0.542 at · 0.542 at 25℃
- CAS DataBase Reference
- 138 · 138-24-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1886 BWR70S · 1886BWR70S
- NIST Chemistry Reference
- Trimethylphenylammonium chloride(138-24-9)
- EPA Substance Registry System
- Benzenaminium, N,N,N-trimethyl-, chloride (138-24-9)
- UNSPSC Code
- 12352107 · 12352107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311-H412
- Precautionary statements
- 264 · P264-P270-P273-P280-P301+P310-P302+P352+P312
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 24 · 24/25
- Safety Statements
- 53 · 53-25-39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 1 · 1
- RTECS
- 2190000 · BT2190000
- Autoignition Temperature
- 237 °C · 237°C
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29239000 · 29239000
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Benzenaminium, N,N,N-trimethyl-, chloride
Status: Active Update: 02-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18578
Phenyltrimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See Phenyltrimethylammonium bromide and Phenyltrimethylammonium iodide.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- BT2190000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29239000
- Toxicity
- LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg
- risk_code
- 24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 53-25-39-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301+H311-H412
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3
- Autoignition Temperature
- 237°C
- Precautionary statements
- P264-P270-P273-P280-P301+P310-P302+P352+P312
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Uses & manufacturing
General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
UsesPhenyltrimethylammonium chloride is an effective phase transfer catalyst, methylating agent, also useful for alkaline depolymerizations, corrosion inhibitor for low carbon steel.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
15 records
Compound notes
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