Phenyltrimethylammonium chloride (HCID 67309)

이름 및 식별자

우선 이름: Phenyltrimethylammonium chloride
IUPAC: trimethyl(phenyl)azanium chloride
현지명: 트리메틸페닐암모늄 클로라이드
영어명: Trimethylphenylammonium chloride
분자식: C9H14ClN
분자량: 171.67

이름 및 동의어

138-24-9Phenyltrimethylammonium chlorideN,N,N-Trimethylanilinium chlorideAmmonyx 200Trimethylanilinium chlorideBenzenaminium, N,N,N-trimethyl-, chloride (1:1)Trimethylphenyl ammonium chloride1886BWR70SDTXSID6051699RefChem:861843DTXCID9030254205-319-0

이름 더 보기

트리메틸페닐암모늄클로라이드N,N,N-트리메틸아닐리늄클로라이드트라이메틸페닐암모늄 클로라이드ammonyx200n,n,n-trimethyl-bentrimethylaniliniumchlorideTriMethylphenylaMMoniuM chloridphenyltrimethyl-ammoniuchloridetrimethylphenyl-ammoniuchloride

N,N,N-Trimethylbenzenaminium chlorideTrimethylphenylammonium chlorideBenzenaminium, N,N,N-trimethyl-, chlorideTrimethylphenylammoniumchloridetrimethyl(phenyl)azanium;chlorideMFCD00011790CHEMBL1209421Ammonium, phenyltrimethyl-, chloride

데이터베이스 식별자

CAS: 138-24-9
PubChem CID: 67309
DTXSID: DTXSID6051699
ChEMBL: CHEMBL1209421
UNII: 1886BWR70S
EC Number: 205-319-0

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 95.8

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Quaternary Amines

Industrial compound

Physical DescriptionWhite crystalline powder; Hygroscopic; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 246 · 246-248 °C (dec.) (lit.)
끓는 점: 283.2 °C · 283.2°C (rough estimate)
밀도: 1.0683 · 1.0683 (rough estimate)
증기압: 0 Pa · 0Pa at 25℃
굴절률: 1.6224 · 1.6224 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 2 O: · H2O: 0.1 g/mL, 투명
물리적 상태: 고체
색상: 백색 결정체
수소이온지수(pH): 4.5 · 4.5 (333g/l, H2O, 20℃)
폭발한계: 1 · 1-6%(V)
수용성: 녹는
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℃
NIST: Trimethylphenylammonium chloride(138-24-9)
EPA: Benzenaminium, N,N,N-trimethyl-, chloride (138-24-9)

화학적 성질

White or greyish-bleu crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 3건

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 · 3건

Acute Tox. 3 (100%)

Acute toxicity - category 3

Acute Tox. 3 *

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: BT2190000
ridadr: UN 2811 6.1/PG 3
독성: LD50 orally in Rabbit: 121 mg/kg LD50 dermal Rabbit 309 mg/kg
HS 번호: 29239000
risk_code: 24/25
hazard_code: T
safety_code: 53-25-39-45
포장분류: III
위험 등급: 6.1
자연 발화 온도: 237°C
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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)

용도 및 제조

General Manufacturing InformationBenzenaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE

응용 분야

용도Phenyltrimethylammonium chloride is an effective phase transfer catalyst, methylating agent, also useful for alkaline depolymerizations, corrosion inhibitor for low carbon steel.