기본 정보
- 표준 SMILES
Cc1ccc(F)cc1- InChIKey
WRWPPGUCZBJXKX-UHFFFAOYSA-N- 분자식
- C7H7F
- 평균 분자량
- 110.13 g/mol
- 단동위원소 질량
- 110.05317839
이름 및 식별자
- 우선 이름
- p-Fluorotoluene
- IUPAC
- 1-fluoro-4-methylbenzene
- 현지명
- 플로로톨루엔(4-)
- 영어명
- p-Fluorotoluene
- 분자식
- C7H7F
- 분자량
- 110.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2194-09-4、352-32-9- PubChem CID
- 9603
- DTXSID
DTXSID7059852- ChEMBL
CHEMBL346605- UNII
- NUD6WZ1B8F
- EC Number
- 206-520-6
- Nikkaji
- J43.544I
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62
실험 및 물리화학적 성질
Kovats Retention Index
770.4;775;775;787
777.7;756
물리화학적 성질
- 녹는점
- -56 °C · -56 °C (lit.)
- 끓는 점
- 116 °C · 116 °C (lit.)
- 밀도
- 1 g/mL · 1 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.468(lit.)
- 인화점
- 63 °F · 63 °F
- 저장 조건
- Flammables area
- 용해도
- 200 mg/L · 200mg/L
- 물리적 상태
- 액체
- Specific Gravity
- 1 · 1.000
- 색상
- 무색투명~미황색
- 수용성
- 섞일 수 없음
- 비열
- 1.55 J/ · Cp(liquid): 1.55 J/(g·K), at 25℃
- Merck
- 14 · 14,4180
- BRN
- 1362373 · 1362373
- Dielectric constant
- 5.86 · 5.8600000000000003
- 안정성
- 휘발성 물질
- InChI
- 1S/C7H7F/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
- InChIKey
- WRWPPGUCZBJXKX-UHFFFAOYSA-N
- SMILES
- Cc1ccc(F)cc1
- NIST
- 1 · Benzene, 1-fluoro-4-methyl-(352-32-9)
- EPA
- p-Fluorotoluene (352-32-9)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H302 (20.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (77.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (77.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (40.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 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
Regulatory Information
Chemical: Benzene, 1-fluoro-4-methyl-
4-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
First Aid
Get medical aid.;INHALATION: Move to fresh air. Remove contaminated clothing. Keep warm and quiet. If breathing has stopped give artificial respiration.;EYES AND SKIN: Wash with plenty of water.;INGESTION: Give one or two glasses of water or milk. Induce vomiting. Give cathartics. (USCG, 1999)
Nonfire Spill Response
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
규제 정보
Regulatory Information
Chemical: Benzene, 1-fluoro-4-methyl-
4-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XT2580000
- ridadr
- UN 2388 3/PG 2
- HS 번호
- 29036990
- risk_code
- 11-20/21/22-36/37/38
- hazard_code
- F,Xn,Xi
- safety_code
- 7-16-36/37-37/39-26
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- 2005-3-3326
- 위험 참고 사항
- Flammable
- Hazard Classifications
- Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
일반 설명A colorless liquid with an aromatic odor. May float or sink in water.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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연결된 노트
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