1-Naphthaleneacetonitrile (HCID 8596)

이름 및 식별자

우선 이름: 1-Naphthaleneacetonitrile
IUPAC: 2-naphthalen-1-ylacetonitrile
현지명: 1-나프틸아세토니트릴
영어명: 1-Naphthylacetonitrile
분자식: C12H9N
분자량: 167.21

이름 및 동의어

1-Naphthylacetonitrile1-NAPHTHALENEACETONITRILEalpha-Naphthyl acetonitrileNSC 9844EINECS 205-078-1BRN 1101012OV0P82P2R0AI3-26061UNII-OV0P82P2R0DTXSID30596304-09-00-02428 (Beilstein Handbook Reference)NAPHAZOLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]

이름 더 보기

1-나프틸아세토니트릴ANNAFOMINA1-NAPHTHALENEACETO1-Naphthyl acetonitr1-Naphtylacetonitrile1-phthyl acetonitrileLABOTEST-BB LTBB001326a-naphthylacetonitrileNaphazoline Impurity CNaphazoline Impurity 3

NAPHAZOLINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:76453DTXCID3034080OQRMWUNUKVUHQO-UHFFFAOYSA-N132-75-22-(Naphthalen-1-yl)acetonitrile1-Naphthyl acetonitrile2-(1-naphthyl)acetonitrile

데이터베이스 식별자

CAS: 132-75-2
PubChem CID: 8596
DTXSID: DTXSID3059630
UNII: OV0P82P2R0
EC Number: 205-078-1
Nikkaji: J30.383F

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 212

실험 및 물리화학적 성질

SpringerMaterials PropertiesSurface tension

물리화학적 성질

녹는점: 33 · 33-35 °C(lit.)
끓는 점: 191 · 191-194 °C18 mm Hg(lit.)
밀도: 1.111 · 1.1110 (rough estimate)
굴절률: 20 · n20/D 1.6192(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 디클로로메탄(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 녹은 후에 액체
색상: 투명한 노란색에서 갈색까지
BRN: 1101012 · 1101012
InChI: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChIKey: OQRMWUNUKVUHQO-UHFFFAOYSA-N
SMILES: C1(CC#N)=C2C(C=CC=C2)=CC=C1
NIST: 1 · 1-Naphthaleneacetonitrile(132-75-2)
EPA: 1 · 1-Naphthaleneacetonitrile (132-75-2)

화학적 성질

White to yellow solid or melt. Insoluble in water.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26186

Hazard Classes and CategoriesAcute Tox. 4 (92%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AM1240000
ridadr: 3276
독성: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03835,
HS 번호: 29269090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xn
safety_code: 26-37/39-24/25-37-36
포장분류: III
위험 등급: 6.1

화학 및 산업

용도 및 제조

General Manufacturing Information1-Naphthaleneacetonitrile: INACTIVE

응용 분야

용도2-(Naphthalen-1-yl)acetonitrile is useful for the preparation of tert-Bu benzoates.

제조 방법 · 1건

Synthesis of 1-naphthylacetonitrile: 695g of 1-chloromethyl naphthalene, 1500ml of methanol and 475ml of water, 350g of sodium cyanide mixture boiling reflux, stirring the reaction for 2h. 1300ml of methanol was evaporated, cooled, and the reactants were washed with water to neutral to obtain 670-680g of 1-naphthylacetonitrile.