기본 정보
- CAS
77532-79-7- 표준 SMILES
Cc1ccc(F)cc1C#N- InChIKey
IBRODYNXELBTJC-UHFFFAOYSA-N- 분자식
- C8H6FN
- 평균 분자량
- 135.14 g/mol
- 단동위원소 질량
- 135.04842736
이름 및 식별자
- 우선 이름
- 5-Fluoro-2-methylbenzonitrile
- IUPAC
- 5-fluoro-2-methylbenzonitrile
- 영어명
- 5-Fluoro-2-methylbenzonitrile
- 분자식
- C8H6FN
- 분자량
- 135.14
이름 및 동의어
5-Fluoro-2-methylbenzonitrile77532-79-7DTXSID30335034RefChem:102631DTXCID80286123623-177-1IBRODYNXELBTJC-UHFFFAOYSA-N2-cyano-4-fluorotoluene2-methyl-5-fluorobenzonitrileBenzonitrile, 5-fluoro-2-methyl-5-Fluoro-2-methyl-benzonitrileMFCD00042295
이름 더 보기
5-Fluoro-2-methylben5-FLUORO-O-TOLUNITRILEMethyl-5-fluorobenzonitrile5-Fluoro-o-tolunitrile (CN=1)5-Fluoro-2-methylbenzonitrile>Benzonitrile, 5-fluoro-2-methyl-5-Fluoro-2-methylbenzonitrile 98%
SCHEMBL1015235-fluoro-2-methylbenzenecarbonitrileAKOS009158106AC-4087PS-9123F0747EN300-626193-FLUORO-6-METHYLBENZONITRILE
데이터베이스 식별자
- CAS
77532-79-7- PubChem CID
- 522668
- DTXSID
DTXSID30335034- EC Number
- 623-177-1
- Nikkaji
- J2.937.591G
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 158
물리화학적 성질
- 녹는점
- 43 · 43-45 °C (lit.)
- 끓는 점
- 230 °C · 230°C (rough estimate)
- 밀도
- 1.1203 · 1.1203 (estimate)
- 인화점
- 175 °F · 175 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- BRN
- 7700578 · 7700578
- InChI
- InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
- InChIKey
- IBRODYNXELBTJC-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(F)=CC=C1C
- NIST
- 5 · 5-Fluoro-2-methylbenzonitrile(77532-79-7)
화학적 성질
yellow low melting solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (14.6%)；Acute Tox. 4 (14.6%)；Skin Irrit. 2 (97.9%)；Eye Dam. 1 (83.3%)；Eye Irrit. 2 (14.6%)；Acute Tox. 4 (14.6%)；STOT SE 3 (95.8%)
안전 데이터
- wgk
- 3
- ridadr
- 3276
- HS 번호
- 29269090
- risk_code
- 37/38-41
- hazard_code
- Xi,T
- safety_code
- 26-39
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
일반 설명5-Fluoro-2-methylbenzonitrile is an aryl fluorinated building block.
상·하류 제품 정보
상류 원료
하류 제품
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