1-(클로로메틸)나프탈렌
1-Chloromethylnaphthalene
기본 정보
- CAS
35255-58-4- 표준 SMILES
ClCc1cccc2ccccc12- InChIKey
XMWGTKZEDLCVIG-UHFFFAOYSA-N- 분자식
- C11H9Cl
- 평균 분자량
- 176.64 g/mol
- 단동위원소 질량
- 176.039278
개요
causes erythema multiforme-like eruption; structure in first source
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)naftalenNSC 84731-(chloromethyl)-naphthalene.alpha.-(Chloromethyl)naphthaleneMFCD000040421-Chloromethyl-naphthaleneKD3RZ3R8C4
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 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials PropertiesBoiling point
Physical DescriptionPale yellow solid with a pungent odor; mp = 31-33 deg C; [Alfa Aesar MSDS]
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Naphthalene, 1-(chloromethyl)-
Naphthalene, 1-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 1-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 1-(chloromethyl)naphthalene (EC: 201-678-2)
1-(Chloromethyl) naphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes lachrymation, diarrhea, and increased body temperature in dermal lethal-dose studies of rats; [RTECS] Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing InformationNaphthalene, 1-(chloromethyl)-: ACTIVE
응용 분야
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.
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