3-Bromobenzyl alcohol
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기본 정보
- CAS
15852-73-0- 표준 SMILES
OCc1cccc(Br)c1- InChIKey
FSWNRRSWFBXQCL-UHFFFAOYSA-N- 분자식
- C7H7BrO
- 평균 분자량
- 187.03 g/mol
- 단동위원소 질량
- 185.96803
이름 및 식별자
- 우선 이름
- 3-Bromobenzyl alcohol
- IUPAC
- (3-bromophenyl)methanol
- 영어명
- 3-Bromobenzyl alcohol
- 분자식
- C7H7BrO
- 분자량
- 187.03
이름 및 동의어
3-Bromobenzyl alcohol15852-73-0Benzenemethanol, 3-bromo-3-BromobenzenemethanolEINECS 239-975-4DTXSID70166440RefChem:499310DTXCID8088931239-975-4InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H(3-Bromophenyl)methanolm-Bromobenzyl alcohol
이름 더 보기
RARECHEM AL BD 00523-Bromobenzyl alcohol 98%3-Bromobenzyl alcohol,99%3-Bromobenzyl Alcohol >3-BroMobenzyl Alcohol, 97+%
MFCD00004629(3-bromophenyl)methan-1-ol3-Bromobenzylalcoholm-bromobenzylalcohol3-bromophenylmethanol3-bromophenyl-methanol3-bromo benzyl alcohol3- bromophenyl-methanol
데이터베이스 식별자
- CAS
15852-73-0- PubChem CID
- 85141
- DTXSID
DTXSID70166440- ChEMBL
CHEMBL2323842- EC Number
- 239-975-4
- Nikkaji
- J278J
물성
구조 계산 물성보충 중
- XLogP
- 2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 85
물리화학적 성질
- 녹는점
- 110 · 110-112
- 끓는 점
- 165 °C16 · 165 °C16 mm Hg(lit.)
- 밀도
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.584(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 물에 약간 용해됨
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 14.28 · 14.28±0.10(Predicted)
- 색상
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.56 · 1.560
- BRN
- 2242512 · 2242512
- InChI
- InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChIKey
- FSWNRRSWFBXQCL-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC(Br)=C1
- NIST
- 3 · 3-Bromobenzyl alcohol(15852-73-0)
화학적 성질
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (60%): 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, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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 InformationBenzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (60%)；Eye Irrit. 2A (60%)；Acute Tox. 4 (20%)；STOT SE 3 (60%)
규제 정보
Regulatory InformationBenzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
응용 분야
용도3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.
상·하류 제품 정보
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