1-(클로로메틸)나프탈렌

1-Chloromethylnaphthalene

HCID 6845CAS 35255-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1cccc2ccccc12
InChIKey: XMWGTKZEDLCVIG-UHFFFAOYSA-N
분자식: C11H9Cl
평균 분자량: 176.64 g/mol
단동위원소 질량: 176.039278

이름 및 식별자

우선 이름: 1-Chloromethylnaphthalene
IUPAC: 1-(chloromethyl)naphthalene
현지명: 1-(클로로메틸)나프탈렌
영어명: 1-Chloromethyl naphthalene
분자식: C11H9Cl
분자량: 176.64

이름 및 동의어

1-Chloromethylnaphthalene1-Cl-me-naphthaleneRefChem:4275091-CMN1-(CHLOROMETHYL)NAPHTHALENE86-52-21-Chloromethyl naphthaleneNaphthalene, 1-(chloromethyl)-1-Naphthylmethyl chloride(Chloromethyl)naphthalene1-Menaphthyl chloride35255-58-4

이름 더 보기

1-(클로로메틸)나프탈렌1-menaphthylchlorideJACS-86-52-2AKOS BBS-00004040-Menaphthylchloride1-Chloromethyl naphtNaftifine Impurity 5Naftifine Impurity 7

Naphthalene, 1-chloromethyl-1-(Chlormethyl)naftalen1-(chloromethyl)naphtaleneNSC 84731-(chloromethyl)-naphthalene.alpha.-(Chloromethyl)naphthaleneMFCD000040421-Chloromethyl-naphthalene

데이터베이스 식별자

CAS: 35255-58-4、86-52-2
PubChem CID: 6845
DTXSID: DTXSID5058939
UNII: KD3RZ3R8C4
EC Number: 201-678-2、252-469-8
Nikkaji: J32.568F

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

녹는점: 32 °C · 32 °C(lit.)
끓는 점: 291 °C · 291 °C
밀도: 1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.635(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(소량으로 용해)
물리적 상태: 녹은 후에 액체
Specific Gravity: 1.18 · 1.18
색상: 어두운 갈색
수용성: 물에 불용성.
BRN: 636885 · 636885
InChI: 1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKey: XMWGTKZEDLCVIG-UHFFFAOYSA-N
SMILES: ClCc1cccc2ccccc12
LogP: 3.97 at · 3.97 at 20℃
NIST: 1 · Naphthalene, 1-(chloromethyl)-(86-52-2)
EPA: 1 · Naphthalene, 1-(chloromethyl)- (86-52-2)

화학적 성질

Solid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QJ2800000
ridadr: UN 3261 8/PG 2
HS 번호: 29036990
risk_code: 21/22-34-36/37/38-36-20/21/22
hazard_code: C,Xn
safety_code: 26-36/37/39-45-60-20-27
포장분류: III
위험 등급: 8
기존화학 물질: 2003-3-2442
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도1-(Chloromethyl)naphthalene is a key material for synthesis dye pigment and as fluorescent brightening agent. It is employed in synthetic resin and medicine. Palladium-catalyzed nucleophilic dearomatization of chloromethyl naphthalene derivatives produce ortho- or para-substituted carbocycles in satisfactory to excellent yields.

일반 설명Kinetics and dissociation mechanism of 1-(chloromethyl)naphthalene following 266nm photoexcitation has been studied. Intermolecular nucleophilic dearomatization of 1-chloromethyl naphthalene with various activated methylene compounds has been investigated.